- NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES
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The present invention relates to novel heteroaryl-triazole and heteroaryl-tetrazole compounds of the general formula (I), in which the structural elements R1, R2, R3, R4 and R5 have the meaning given in the description, to formulations and compositions comprising such compounds and for their use in the control of animal pests including arthropods and insects in plant protection and to their use for control of ectoparasites on animals.
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Page/Page column 128
(2021/01/29)
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- NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES
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The present invention relates to novel heteroaryl-triazole compounds of the general formula (I), in which the structural elements X, R1, R2, R3, R4 and R5 have the meaning given in the description, to
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Page/Page column 113
(2021/06/04)
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- Potassium Poly(Heptazine Imide): Transition Metal-Free Solid-State Triplet Sensitizer in Cascade Energy Transfer and [3+2]-cycloadditions
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Polymeric carbon nitride materials have been used in numerous light-to-energy conversion applications ranging from photocatalysis to optoelectronics. For a new application and modelling, we first refined the crystal structure of potassium poly(heptazine imide) (K-PHI)—a benchmark carbon nitride material in photocatalysis—by means of X-ray powder diffraction and transmission electron microscopy. Using the crystal structure of K-PHI, periodic DFT calculations were performed to calculate the density-of-states (DOS) and localize intra band states (IBS). IBS were found to be responsible for the enhanced K-PHI absorption in the near IR region, to serve as electron traps, and to be useful in energy transfer reactions. Once excited with visible light, carbon nitrides, in addition to the direct recombination, can also undergo singlet–triplet intersystem crossing. We utilized the K-PHI centered triplet excited states to trigger a cascade of energy transfer reactions and, in turn, to sensitize, for example, singlet oxygen (1O2) as a starting point to synthesis up to 25 different N-rich heterocycles.
- Antonietti, Markus,Guldi, Dirk M.,Hussain, Tanveer,Karton, Amir,Markushyna, Yevheniia,Mazzanti, Stefano,Oschatz, Martin,Sánchez Vadillo, José Manuel,Savateev, Aleksandr,Strauss, Volker,Tarakina, Nadezda V.,Tyutyunnik, Alexander P.,Walczak, Ralf,ten Brummelhuis, Katharina
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supporting information
p. 15061 - 15068
(2020/06/17)
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- Cobalt(ii)-catalyzed benzylic oxidations with potassium persulfate in TFA/TFAA
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A cobalt-catalyzed C(sp3)-H oxygenation reaction to furnish aldehyde was herein reported. This transformation demonstrated high chemo-selectivity, and tolerated various methylarenes bearing electron-withdrawing substituents. This reaction provided rapid access to diverse aldehydes form methylarenes. Notably, TFA/TFAA was used for the first time as a mixed solvent in cobalt-catalyzed oxygenation of benzylic methylenes.
- Li, Tianlei,Li, Jishun,Zhu, Zihao,Pan, Weidong,Wu, Song
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p. 20879 - 20883
(2019/07/12)
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- Bisubstrate inhibitors of nicotinamide N-methyltransferase (NNMT) with enhanced activity
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Nicotinamide N-methyltransferase (NNMT) catalyzes the methylation of nicotinamide to form N-methylnicotinamide. Overexpression of NNMT is associated with a variety of diseases, including a number of cancers and metabolic disorders, suggesting a role for NNMT as a potential therapeutic target. By structural modification of a lead NNMT inhibitor previously developed in our group, we prepared a diverse library of inhibitors to probe the different regions of the enzyme's active site. This investigation revealed that incorporation of a naphthalene moiety, intended to bind the hydrophobic nicotinamide binding pocket via π-πstacking interactions, significantly increases the activity of bisubstrate-like NNMT inhibitors (half-maximal inhibitory concentration 1.41 μM). These findings are further supported by isothermal titration calorimetry binding assays as well as modeling studies. The most active NNMT inhibitor identified in the present study demonstrated a dose-dependent inhibitory effect on the cell proliferation of the HSC-2 human oral cancer cell line.
- Gao, Yongzhi,Van Haren, Matthijs J.,Moret, Ed E.,Rood, Johannes J. M.,Sartini, Davide,Salvucci, Alessia,Emanuelli, Monica,Craveur, Pierrick,Babault, Nicolas,Jin, Jian,Martin, Nathaniel I.
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p. 6597 - 6614
(2019/08/20)
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- Deoxygenative Deuteration of Carboxylic Acids with D2O
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We report a general, practical, and scalable means of preparing deuterated aldehydes from aromatic and aliphatic carboxylic acids with D2O as an inexpensive deuterium source. The use of Ph3P as an O-atom transfer reagent can facilitate the deoxygenation of aromatic acids, while Ph2POEt is a better O-atom transfer reagent for aliphatic acids. The highly precise deoxygenation of complex carboxylic acids makes this protocol promising for late-stage deoxygenative deuteration of natural product derivatives and pharmaceutical compounds.
- Zhang, Muliang,Yuan, Xiang-Ai,Zhu, Chengjian,Xie, Jin
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supporting information
p. 312 - 316
(2018/11/25)
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- Design, Synthesis, and Biological Evaluation of Novel Allosteric Protein Disulfide Isomerase Inhibitors
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Protein disulfide isomerase (PDI) is responsible for nascent protein folding in the endoplasmic reticulum (ER) and is critical for glioblastoma survival. To improve the potency of lead PDI inhibitor BAP2 ((E)-3-(3-(4-hydroxyphenyl)-3-oxoprop-1-en-1-yl)benzonitrile), we designed and synthesized 67 analogues. We determined that PDI inhibition relied on the A ring hydroxyl group of the chalcone scaffold and cLogP increase in the sulfonamide chain improved potency. Docking studies revealed that BAP2 and analogues bind to His256 in the b′ domain of PDI, and mutation of His256 to Ala abolishes BAP2 analogue activity. BAP2 and optimized analogue 59 have modest thiol reactivity; however, we propose that PDI inhibition by BAP2 analogues depends on the b′ domain. Importantly, analogues inhibit glioblastoma cell growth, induce ER stress, increase expression of G2M checkpoint proteins, and reduce expression of DNA repair proteins. Cumulatively, our results support inhibition of PDI as a novel strategy to treat glioblastoma.
- Yang, Suhui,Shergalis, Andrea,Lu, Dan,Kyani, Anahita,Liu, Ziwei,Ljungman, Mats,Neamati, Nouri
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p. 3447 - 3474
(2019/04/16)
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- Discovery and preliminary structure–activity relationship of 1H-indazoles with promising indoleamine-2,3-dioxygenase 1 (IDO1) inhibition properties
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Indoleamine 2,3-dioxygenase 1 (IDO1)-mediated kynurenine pathway of tryptophan degradation is identified as an important immune effector pathway in the tumor cells to escape a potentially effective immune response. IDO1 is an attractive target for anticancer therapy and the discovery of IDO1 inhibitors has been intensely ongoing in both academic research laboratories and pharmaceutical organizations. Our study discovered that 1H-indazole was a novel key pharmacophore with potent IDO1 inhibitory activity. A series of new 1H-indazole derivatives were synthesized and determined the enzyme inhibitory activities, and the compound 2g exhibited the highest activity with an IC50value of 5.3 μM. The structure–activity relationships (SARs) analysis of the 1H-indazole derivatives as novel IDO1 inhibitors indicated that the 1H-indazole scaffold is necessary for IDO1 inhibition, and the substituent groups at the both 4-position and 6-position largely affect inhibitory activity. The docking model exhibited that the effective interactions of 1H-indazoles with ferrous ion of heme and key residues of hydrophobic Pocket A and B ensured the IDO1 inhibitory activities. The study suggested that the 1H-indazole was a novel interesting scaffold for IDO inhibition for further development.
- Qian, Shan,He, Tao,Wang, Wei,He, Yanying,Zhang, Man,Yang, Lingling,Li, Guobo,Wang, Zhouyu
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p. 6194 - 6205
(2016/12/06)
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- Diphosphino-functionalised MCM-41-supported palladium complex: An efficient and recyclable catalyst for the formylation of aryl halides
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The heterogeneous formylation of aryl halides with HCO2Na at atmospheric pressure by carbon monoxide was readily achieved in the presence of the diphosphino-functionalised MCM-41-supported palladium complex in DMF to afford the corresponding aromatic aldehydes in good to excellent yields. This heterogeneous palladium catalyst can be recovered by simple filtration and reused 10 times without any loss of activity.
- Jiang, Jianwen,Wang, Pingping,Cai, Mingzhong
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p. 218 - 222
(2014/05/06)
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- Aromatics from pyrones: Esters of terephthalic acid and isophthalic acid from methyl coumalate
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The Diels-Alder reaction of methyl coumalate with alkenes bearing electron-withdrawing groups provides terephthalates or isophthalates in good yields, with the regioselectivity depending on the electron-withdrawing group. The reaction of methyl coumalate with the salt of acrylic acid gave only the monoester of isophthalic acid. Density functional theory (B3LYP/6-31 + G(d,p)) computations of the energies of the competing transition states of the para-selective Diels-Alder reactions are in good agreement with experiment. The surprising regioselectivity of methyl coumalate with activated alkenes is attributed to a secondary orbital interaction between the pyrone oxygen and the dienophile LUMO, which switches the regiochemistry expected from simple frontier molecular orbital theory arguments. The Royal Society of Chemistry 2013.
- Kraus, George A.,Pollock III, Gerald R.,Beck, Christie L.,Palmer, Kyle,Winter, Arthur H.
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p. 12721 - 12725
(2013/08/23)
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- Oxidative esterification of benzaldehyde and deactivated aromatic aldehydes with N-bromosuccinimide-pyridine
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(Chemical Equation Presented) Whereas the oxidative esterification of benzaldehyde to methyl benzoate with N-bromosuccinimide (NBS)-pyridine requires dark conditions and 5 equivalents each of NBS and K2CO3 and gave only moderate yield (52%) of the product (McDonald et al. J. Org. Chem. 1989, 54, 1213), simple change of base to pyridine gave the desired product in 83% gas chromatographic yield with only 1 equivalent each of NBS and pyridine. Moreover, the reaction could be conducted without exclusion of light. Aromatic aldehydes bearing electron-withdrawing substituents at meta/para position yielded the corresponding methyl esters in still better yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications to view the free supplemental file. Copyright Taylor & Francis Group, LLC.
- Agrawal, Manoj K.,Adimurthy, Subbarayappa,Ghosh, Pushpito K.
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experimental part
p. 2931 - 2936
(2012/07/16)
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- RENIN INHIBITORS
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Described are compounds that bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with aspartic protease activity. Also described are methods of use of the compounds described herein in ameliorating or treating aspartic protease related disorders in a subject in need thereof.
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- Correlation analysis of reactivity in the oxidation of substituted benzyl alcohols by morpholinium chlorochromate
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Oxidation of benzyl alcohol and some ortho-, meta- andparo-monosubstitutcd derivatives by morpholinium chlorochromate in dimethyl stilphoxide leads to the formation of corresponding benzaldehydcs. The reaction is first order each in both morpholinium chlorochromate and the alcohol. The reaction is promoted by hydrogen ions; the hydrogen-ion dependence has the form kob8 = a + b [H+]. Oxidation of α,α-dideuteriobenzyl alcohol exhibits a substantial primary kinetic isotope effect (kH/kD = 5.86 at 298 K). The reaction has been studied in nineteen organic solvents and the effect of solvent analysed using Taft's and Swain's multi-parametric equations. The rates of oxidation of para- and meta-substituted benzyl alcohols have been correlated in terms of Charton's tripararnetric LDR equation whereas the oxidation of ortho-substituted benzyl alcohols with tetraperametric LDRS equation. The oxidation of para-substituted benzyl alcohols is more susceptible to the derealization effect than that of ortho- and meta- substituted compounds, which display a greater dependence on the field effect. The positive value of η suggests the presence of an electron-deficient reaction centre in the rate-determining step. The reaction is subjected to steric acceleration by the ortho-substituents. A suitable mechanism is also proposed.
- Soni, Neelam,Tiwari, Vandana,Sharma, Vinita
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scheme or table
p. 669 - 676
(2009/02/08)
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- Correlation analysis of reactivity in the oxidation of substituted benzyl alcohols by 2,2′-bipyridinium chlorochromate
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Oxidation of benzyl alcohol and some ortho-, meta- and para-monosubstituted ones by 2.2′-bipyridinium chlorochromate (BPCC) in DMSO leads to the formation of corresponding benzaldehydes. The reaction is first order in both BPCC and the alcohol. The reaction is promoted by hydrogen ions; the hydrogen-ion dependence has the form : kobs = a + b [H+]. Oxidation of α,α-dideuteriobenzyl alcohol (PhCD2OH) has exhibited a substantial primary kinetic isotope effect (kH/k D = 5.60 at 298 K). The reaction has been studied in nineteen organic solvents and the effect of solvent analysed using Taft's and Swain's multi-parametric equations. The rates of oxidation of para- and meta-substituted benzyl alcohols have been correlated in terms of Charton's triparametric LDR equation whereas the oxidation of ortho-substituted benzyl alcohols with tetraparametric LDRS equation. The oxidation of para-substituted benzyl alcohols is more susceptible to the delocalization effect than that of ortho- and meta-substituted compounds, which display a greater dependence on the field effect. The positive value of η suggests the presence of an electron-deficient reaction centre in the rate-determining step. The reaction is subjected to steric acceleration by the ortho-substituents. A suitable mechanism has been proposed.
- Yajurvedi, Deeksha,Baghmar, Manju,Sharma, Pradeep K.
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body text
p. 496 - 501
(2009/07/18)
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- PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS
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A process for synthesizing a β- ketoester of formula (VII) which comprises: (a) converting 3-methylbenzoic acid into alkyl 3-methylbenzoate; (b) reacting 3 -methyl benzoate to form alkyl 3 -bromomethylbenzoate; (c)converting alkyl 3-bromo methyl benzoate into alkyl 3-formylbenzoate; (d) condensing alkyl 3-formyl benzoate with 7- Chioroquinaldine to give alkyl 3- [((7-Chloro-2-quinolinyl) ethenyl)]benzoate; (e) hydrolyzing alkyl 3 -[((7-Chloro-2-quinolinyl)ethenyl) benzoate to give 3-[((7- Chloro- 2-quinolinyl)ethenyl)]benzoic acid; and (f) reacting 3-[((7-Chloro-2-quinolinyI) ethenyjbenzoic acid with a malonate to obtain a compound of structural formula VII.
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(2010/11/30)
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- TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
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The present invention relates to tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. More precisely, the present invention relates to tricyclic derivatives as colchicine derivatives, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. Tricyclic derivatives of the present invention show very powerful cytotoxicity to cancer cell lines but were much less toxic than colchicine or taxol, confirmed through animal toxicity test. Tricyclic derivatives of the invention also decrease the volume and weight of a tumor and have a strong angiogenesis inhibiting activity in HUVEC cells. Thus, tricyclic derivatives of the present invention can effectively be used as an anticancer agent, anti-proliferation agent and an angiogenesis inhibitor.
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- Correlation analysis of reactivity in the oxidation of substituted benzyl alcohols by quinolinium bromochromate
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Oxidation of benzyl alcohol and some ortho- meta- and para-monosubstituted ones by quinolinium, bromochromate (QBC) in dimethyl sulphoxide (DMSO) leads to the formation of corresponding benzaldehydes. The reaction is first order each in both QBC and the alcohol. The reaction is promoted by hydrogen ions; the hydrogen-ion dependence has the form kobs = a + b [H+]. Oxidation of α,α-dideuteriobenzyl alcohol (PhCD2OH) has exhibited a substantial primary kinetic isotope effect (kH/k D = 5.60 at 298 K). The reaction has been studied in nineteen organic solvents and the effect of solvent analysed using Taft's and Swain's multi-parametric equations. The rates of oxidation of para- and meta-substituted benzyl alcohols have been correlated in terms of Charton's triparametric LDR equation whereas the oxidation of ortho-substituted benzyl alcohols with tetraparametric LDRS equation. The oxidation of para-substituted benzyl alcohols is more susceptible to the delocalization effect than that of ortho- and meta-substituted compounds which display a greater dependence on the field effect. The positive value of η suggests the presence of an electron-deficient reaction centre in the rate-determining step. The reaction is subjected to steric acceleration by the ortho-substituents. A suitable mechanism has been proposed.
- Prakash, Om,Sharma, Pradeep K.
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p. 467 - 473
(2007/10/03)
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- Kinetics and mechanism of the oxidation of substituted benzyl alcohols by [bis(trifluoroacetoxy)iodo]benzene
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The oxidation of substituted benzyl alcohols by bis(trifluoroacetoxy)iodo] benzene in aqueous acetic acid solution results in the formation of the corresponding benzaldehydes. The reaction is first order with respect to each of the alcohol, TFAIB and hydrogen ions. The oxidation of [1,1-2H 2]benzyl alcohol exhibited the presence of a substantial primary kinetic isotope effect, indicating the cleavage of the α-C-H bond in the rate-determining step. Increase in the amount of water, in the solvent mixture of acetic acid and water, results in a decrease of the reaction rate. The analysis of the substituent effect in terms of Charton's LDR equation yielded an excellent correlation with negative reaction constants. A mechanism involving a hydride-ion transfer in the rate-determining step has been proposed.
- Kansara, Alpna,Sharma, Pradeep K.,Banerji, Kalyan K.
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p. 581 - 584
(2007/10/03)
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- Conversion of Benzal Halides to Benzaldehydes in the Presence of Aqueous Dimethylamine
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Aqueous dimethylamine is an efficient reagent for the conversion of a variety of benzal halides to their corresponding benzaldehydes. Studies indicate that aqueous dimethylamine significantly accelerates aldehyde formation from benzal halide precursors, as compared to the use of water alone. Indeed, these reactions are routinely completed in one hour or less, depending upon substrate substitution. Desired products can be isolated in pure form, and in high yield, but silica gel filtration is often necessary to remove baseline contaminants. The method represents a novel, economical approach to acquire pure, substituted benzaldehydes from commercially available, or easily prepared starting materials.
- Bankston, Donald
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p. 283 - 289
(2007/10/03)
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- NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF
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A benzophenone derivative represented by the following formula: whereinR1 represents, for example, an optionally substituted heterocyclic group, or a substituted phenyl group; Z represents, for example, an alkylene group; R2 represents, for example, a carboxyl group optionally protected with alkyl;R3 represents, for example, an optionally protected hydroxyl group; R4 represents, for example, an optionally substituted cycloalkyloxy group; and R5 represents, for example, a hydrogen atom, ???or a salt thereof has anti-arthritic activity, inhibits bone destruction caused by arthritis, and provides high safety and excellent pharmacokinetics and thus is useful as therapeutic agent for arthritis. These compounds have inhibitory effect on AP-1 activity and are useful as preventive or therapeutic agent for diseases in which excessive expression of AP-1 is involved.
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Page 123-124
(2010/02/07)
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- Gastrin and cholecystokinin receptor ligands(II)
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Substituted imidazoles (1) are useful as angiotensin II blockers. These compounds have activity in treating hypertension and congestive heart failure. Pharmaceutical compositions containing the novel imidazoles and pharmaceutical methods using them, alone and in conjunction with other drugs, especially diuretics and non-steroidal antiinflammatory drugs (NSAID's) are also described.
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- Method for labeling and fragmenting DNA
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The invention relates to a method for labeling and fragmenting a single- or double-stranded deoxyribonucleic acid (DNA) comprising the following steps: chemically fragmenting the DNA by creating at least one abasic site on said DNA, attaching a marker to at least one of the fragments by means of a labeling reagent, said reagent covalently and predominantly coupling to at least one phosphate of said fragment. The invention finds a preferred application in the field of diagnosis.
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- Correlation analysis of reactivity in the oxidation of substituted benzyl alcohols by quinolinium fluorochromate
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Oxidation of benzyl alcohol and some ortho-, meta- and para-monosubstituted ones by quinolinium fluorochromate (QFC) in dimethyl sulphoxide (DMSO) leads to the formation of corresponding banzaldehydes. The reaction is first order each in both QFC and the alcohol. The reaction is promoted by hydrogen ions; the hydrogen-ion dependence has the form kobs= a + b [H+]. Oxidation of α,α-dideuteriobenzyl alcohol (PhCD2OH) has exhibited a substantial primary kinetic isotope effect. The reaction has been studied in nineteen organic solvents and the effect of solvent analysed using Taft's and Swain's multi-parametric equations. The rates of oxidation of para- and meta-substituted benzyl alcohols have been correlated in terms of Charton's triparametric LDR equation, whereas the oxidation of ortho-substituted benzyl alcohols with tetraparametric LDRS equation. The oxidation of para-substituted benzyl alcohols is more susceptible to the delocalization effect than that of ortho- and meta-substituted compounds, which display a greater dependence on the field effect. The positive value of η suggests the presence of an electron-deficient reaction centre in the rate-determining step. The reaction is subjected to steric acceleration by the ortho-substituents. A suitable mechanism has been proposed.
- Dave, Itishri,Sharma, Vinita,Banerji, Kalyan K.
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p. 493 - 499
(2007/10/03)
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- Correlation analysis of reactivity in oxidation of substituted benzyl alcohols by tetrabutylammonium tribromide
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Oxidation of benzyl alcohol and some ortho-, meta- and para-monosubstituted benzyl alcohols by tetrabutylammonium tribromide (TBATB) in aqueous acetic acid leads to the formation of corresponding benzaldehydes. The reaction is first order each in TBATB and the alcohol. The oxidation of [1,1-2H2]benzyl alcohol (PhCD2OH) exhibited a substantial kinetic isotope effect. Addition of tetrabutylammonium chloride or potassium bromide did not affect the rate. Tribromide ion has been postulated as the reactive oxidizing species. The reaction rate increases with increase in the polarity of the solvent. The rates of oxidation of meta- and para-substituted benzyl alcohols showed excellent correlation in terms of Charton's triparametric LDR, equation whereas the oxidation of ortho-substituted benzyl alcohols correlated best with the LDRS equation. The oxidation of para-substituted benzyl alcohols is more susceptible to the delocalization effect than is the oxidation of ortho- and meta-substituted compounds, which display a greater dependence on the field effect. The positive value of η suggests the presence of an electron-deficient reaction centre in the rate-determining step. The reaction is subject to steric acceleration by the ortho-substituents. A suitable mechanism is proposed. Copyright
- Kumar, Ashok,Sharma, Pradeep K.,Banerji, Kalyan K.
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p. 721 - 727
(2007/10/03)
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- The size-selective synthesis of folded oligomers by dynamic templation
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A dynamic pool of m-phenylene ethynylene oligomers generated by sequence ligation using the imine metathesis reaction was equilibrated under a variety of conditions, and the mixture of products was analyzed by HPLC. The equilibration was performed in the
- Nishinaga, Tohru,Tanatani, Aya,Oh, Keunchan,Moore, Jeffrey S.
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p. 5934 - 5935
(2007/10/03)
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- Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors
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Compounds of formula (I) are novel P2X3 and P2X2/P2X3 antagonists which are useful in treating pain, urinary incontinence and bladder overactivity.
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- Compounds as delta opioid agonists
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Compounds of the formula (I)—shown below—are described. The compounds are useful in the manufacture of a pharmaceutical composition for preventing or treating inflammatory diseases such as arthritis, psoriasis, asthma, or inflammatory bowel disease, disorders of respiratory function, gastrointestinal disorders such as functional bowel disease, functional GI disorders such as irritable bowel syndrome, functional diarrhoea, functional distension, functional pain, non-ulcerogenic dyspepsia or others associated with disorders of motility or secretion, urogenital tract disorders such as incontinence, as analgesics for treating pain including non-somatic pain, or as immunosuppressants to prevent rejection in organ transplant and skin graft.
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- Correlation analysis of reactivity in oxidation of substituted benzyl alcohols by benzyltrimethylammonium chlorobromate
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Oxidation of benzyl alcohol and some ortho-, meta- and para-monosubstituted benzyl alcohols by benzyltrimethylammonium chlorobromate (BTMACB) in aqueous acetic acid leads to the formation of corresponding benzaldehydes. The reaction is first order each in BTMACB and the alcohol. The oxidation of α,α-dideuteriated benzyl alcohol (PhCD2OH) exhibits a substantial kinetic isotope effect. Addition of benzyltrimethylammonium chloride or potassium bromide ions does not affect the rate. Chlorobromate ion has been postulated as the reactive oxidizing species. The effect of solvent composition indicates that the reaction rate increases with an increase in the polarity of the solvent. The rates of oxidation of meta- and para-substituted benzyl alcohols have been correlated in terms of Charton's triparametric LDR equation whereas the oxidation of ortho-substituted benzyl alcohols has been correlated with tetraparametric LDRS equation. The oxidation of para-substituted benzyl alcohols is more susceptible to the delocalization effect than is the oxidation of ortho- and meta-substituted compounds, which display a greater dependence on the field effect. The positive value of η suggests the presence of an electron-deficient reaction centre in the rate-determining step. The reaction is subjected to steric acceleration by the ortho-substituents. A suitable mechanism has been proposed.
- Sita Rama Raju,Sharma,Banerji
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p. 1258 - 1263
(2007/10/03)
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- Benzopyridazinone and pyridopyridazinone compounds
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Benzo or pyridopyridazinones and pyridazinthiones of the formula STR1 wherein: X and Y are nitrogen or carbon, provided that at least one is carbon, and Z is oxygen or sulfur; R1 is hydrogen, lower alkyl, aryl, aralkyl, heterocyclo, heterocyclo lower-alkyl, heteroaryl, or heteroaralkyl; R2, R3, R4, R5 and R6 are independently selected from hydrogen, lower alkyl, halo, carboxy, alkoxycarbonyl, carbamoyl, lower-alkyl carbonyl, halocarbonyl, thiomethyl, trifluoromethyl, cyano or nitro; or a pharmaceutically acceptable ester, ether or salt thereof, have been found to be useful as an anti-inflammatory, antasthmatic, immunosuppressive, anti-allograft rejection, anti-graft-vs-host rejection, autoimmune disease or analgetic agent(s).
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- Thermolysis and CoII-tetraphenylporphyrin-catalysed decomposition of substituted cycloheptatriene endoperoxides: A new synthetic approach to substituted dihydrooxepines
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Photooxygenation of the carbonyl group-substituted cycloheptatrienes 14-17 affords the corresponding [2+4] cycloaddition products derived from cycloheptatriene and its valence isomer norcaradiene as well as rearranged aromatic compounds. Thermolysis of the cycloheptatriene endoperoxides 19, 22, 23, 26, 27 and 31 at 174°C gives the corresponding bis-epoxides, no rearranged products being observed. However, treatment of 19, 26 and 31 with cobalt tetraphenylporphyrin provides the ring-opened products 47, 49 and 51 which are easily converted into the substituted 4,5-dihydrooxepine derivatives 48, 50 and 52. The outcome of Co-TPP-catalysed rearrangement is discussed in terms of different conformers.
- Senguel, M. Emin,Balci, Metin
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p. 2071 - 2077
(2007/10/03)
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- Diarylstrylquinoline diacids and pharmaceutical compositions thereof
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Compounds having the formula: STR1 are leukotriene antagonists and inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents.
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- 3-Oxiranyl benzoic acids and derivatives thereof
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The present invention relates to compounds of the formula or a pharmaceutically acceptable salt thereof wherein R is alkyl of 12 carbon atoms, alkenyl of 12 carbon atoms having from 1 to 4 -CH=CH- groups when the carbon adjacent to R is saturated and from
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- Kinetics and Mechanism of the Oxidation of Substituted Benzylamines by N-Chlorosuccinimide
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The oxidation of ortho-, meta-, and para-substituted benzylamines by N-chlorosuccinimide (NCS), to the corresponding benzaldehydes, is first-order with respect to NCS and the amine.The pH dependence of the reaction rate suggests that the unprotonated benzylamine is the reductant.There is no effect of added succinimide.NCS itself has been postulated as the reactive oxidising species.The oxidation of benzylamine exhibited a substantial primary kinetic isotope effect (kH/kD=6.20).The rates of oxidation of the meta- and para-substituted benzylamines were separately correlated in Taft and Swain's dual substituent parameter equations.For the para-substituted compounds, the best correlation is obtained with ?I and ?R+ values; meta-substituted compounds correlate with ?I and ?R0 values.The reaction constants have negative values.The oxidation rates of the ortho-substituted compounds yield an excellent correlation in a triparametric equation involving Taft's ?I and ?R+ values and Charton's steric parameter, V.A mechanism involving transfer of a hydride ion from the amine to the oxidant in the rate-determining step is proposed.
- Banerji, Kalyan K.
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p. 1015 - 1020
(2007/10/02)
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- Mechanistic Study of the Oxidation of Substituted Benzylamines by N-Bromoacetamide
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The oxidation of ortho-, meta-, and para-substituted benzylamines by N-bromoacetamide (NBA), to the corresponding benzaldehydes, is first order with respect to NBA and the amine.The pH dependence of the reaction rate suggests that the unprotonated benzylamine is the reductant.There is no effect of added acetamide.NBA itself has been postulated as the reactive oxidizing species.The oxidation of benzylamine-α,α-d2 exhibited a substantial primary kinetic isotope effect (kH/kD=5.81).The rates of the oxidation of the meta- and para-substituted benzylamines were separately correlated in Taft's and Swain's dual substituent parameter equations.For the para-substituted compounds, the best correlation is obtained with ?I and ?R(+) values, while meta-substituted compounds correlated best with ?I and ?R(0) values.The reaction constants have negative values.The oxidation rates of the ortho-substituted compounds yield excellent correlation in a triparametric equation involving Taft's ?I and ?R(+) values and Charton's steric parameter, V.A mechanism involving transfer of a hydride ion from the amine to NBA, in the rate-determining step has been proposed.
- Banerji, Kalyan K.
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p. 3717 - 3722
(2007/10/02)
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- Chalcone derivatives
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The present invention provides new chalcone derivatives of the general formula: STR1 wherein R1 is a hydroxyl, carboxylic acid or sulphonic acid group or a carboxyalkoxy or sulphoalkoxy radical, R2 and R3, which may be the same or different, are hydrogen or halogen atoms, hydroxyl groups or alkoxy radicals and R4 is an alkyl, hydroxyalkyl, alkoxy, carboxyalkoxy, sulphoalkoxy or carboxyalkylcarbonyloxyalkyl radical or a carboxylic acid or sulphonic acid group, with the proviso that compounds of general formula (Ia) always contain at least one carboxylic acid or sulphonic acid group; and the non-toxic inorganic and organic salts of those compounds containing at least one carboxylic acid or sulphonic acid group, the compounds of the invention are useful for treating inflammatory and allergic conditions and for treating ulcerous conditions of the gastro-intestinal tract in humans.
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