- Multibranched Calix[4]arene-Based Sensitizers for Efficient Photocatalytic Hydrogen Production
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In the field of direct production of hydrogen from solar energy and water, photocatalytic methods hold great potential especially when metal-free molecular components are preferred. In this work, we have developed a new class of calix[4]arene-based molecu
- Abbotto, Alessandro,Baldini, Laura,Boldrini, Chiara Liliana,Decavoli, Cristina,Dolla, Tarekegn Heliso,Faroldi, Federica,Fornasiero, Paolo,Manfredi, Norberto,Montini, Tiziano,Sansone, Francesco
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- Synthesis, evaluation and in silico studies of novel BRD4 bromodomain inhibitors bearing a benzo[d]isoxazol scaffold
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Abstract: The BRD4 protein is associated with various diseases, which has been an attractive target for the treatment of cancer and inflammation. This paper is a follow-up to our previous studies, in which we report the structure-based design, synthesis, and evaluation of a new class of small-molecule BRD4 bromodomain inhibitors bearing a benzo[d]isoxazol scaffold. The SARs focused on exploration of the 2′ or 3′ position to afford novel inhibitors that may avoid potential metabolically unstable site. The most potent inhibitor 13f exhibited high binding affinity to BRD4(1) with a ΔTm value of 7.8 °C as evaluated in thermal shift assay (TSA). The potent activity was also demonstrated by a peptide competition assay with an IC50 value of 0.21?μM. The docking studies revealed the binding mode of the compounds with the active site of BRD4(1). In addition, in silico predictions indicated that these compounds possessed good drug-likeness and pharmacokinetic profile. Graphic abstract: This paper is a follow-up to our previous studies, in which we report the structure-based design,synthesis, and evaluation of a new class of small-molecule BRD4 bromodomain inhibitors bearing a benzo[d]isoxazolscaffold.[Figure not available: see fulltext.].
- Zhang, Maofeng,Liu, Zhuyun,Wang, Lizhong,Li, Yan,Ma, Yonggang
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- GLP-1 RECEPTOR MODULATORS
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Compounds are provided that modulate the glucagon-like peptide 1 (GLP-1) receptor, as well as methods of their synthesis, and methods of their therapeutic and/or prophylactic use. Such compounds can act as modulators or potentiators of GLP-1 receptor on their own, or with incretin peptides such as GLP-1(7-36) and GLP-1(9-36), or with peptide-based therapies, such as exenatide and liraglutide, and have the following general structure (where "^^^^" represents either or both the R and S form of the compound) (I) where A, B, C, Y1, Y2, Z, R1, R2, R3, R4, R5, W1, n, p and q are as defined herein.
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Paragraph 001027
(2016/06/28)
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- Continuous flow reduction of artemisinic acid utilizing multi-injection strategies - Closing the gap towards a fully continuous synthesis of antimalarial drugs
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One of the rare alternative reagents for the reduction of carbon-carbon double bonds is diimide (HN=NH), which can be generated in situ from hydrazine hydrate (N2H4·H2O) and O2. Although this selective method is extremely clean and powerful, it is rarely used, as the rate-determining oxidation of hydrazine in the absence of a catalyst is relatively slow using conventional batch protocols. A continuous high-temperature/high-pressure methodology dramatically enhances the initial oxidation step, at the same time allowing for a safe and scalable processing of the hazardous reaction mixture. Simple alkenes can be selectively reduced within 10-20 min at 100-120°C and 20 bar O2 pressure. The development of a multi-injection reactor platform for the periodic addition of N2H4·H2O enables the reduction of less reactive olefins even at lower reaction temperatures. This concept was utilized for the highly selective reduction of artemisinic acid to dihydroartemisinic acid, the precursor molecule for the semisynthesis of the antimalarial drug artemisinin. The industrially relevant reduction was achieved by using four consecutive liquid feeds (of N2H4·H2O) and residence time units resulting in a highly selective reduction within approximately 40 min at 60°C and 20 bar O2 pressure, providing dihydroartemisinic acid in ≥93% yield and ≥95% selectivity.
- Pieber, Bartholom?us,Glasnov, Toma,Kappe, C. Oliver
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supporting information
p. 4368 - 4376
(2015/03/14)
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- Novel biphenyl-3-carboxamide derivatives or salt thereof and pharmaceutical composition for treating or preventing autoimmune diseases comprising the same
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The present invention refers to novel biphenyl-3-carboxamide amide derivatives or a salt thereof and a self effect because of having immunosuppressive effect and the treatment of auto-immune diseases in relates to pharmaceutical compositions for the treat
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Paragraph 0034; 0058; 0060-0064
(2021/10/21)
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- Photodriven Transfer Hydrogenation of Olefins
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An improved practical method for the photodriven diimide reduction of olefins was investigated. This catalyst-free procedure proceeds at ambient temperature, utilizes air as oxidant and a lower hydrazine loading, and produces inert nitrogen gas as the sole byproduct. Several functional groups were tolerated, and in some cases, the reaction was chemoselective. Challenging substrates such as cinnamate ester derivatives and trans-stilbene were reduced in excellent yields. The small amount of UVA rays emitted from a household compact fluorescent light bulb was proposed to enable the cis/trans isomerization of the diimide and to promote the loss of hydrogen from the diimide.
- Leow, Dasheng,Chen, Ying-Ho,Hung, Tzu-Hang,Su, Ying,Lin, Yi-Zhen
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supporting information
p. 7347 - 7352
(2016/02/18)
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- In situ generation of diimide from hydrazine and oxygen: Continuous-flow transfer hydrogenation of olefins
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No catalyst required! A highly efficient, catalyst-free process to generate diimide in situ from hydrazine monohydrate and molecular oxygen for the selective reduction of alkenes has been developed. The use of a gas-liquid segmented flow system allowed safe operating conditions and dramatically enhanced this atom-economical reaction, resulting in short processing times. Copyright
- Pieber, Bartholomaeus,Martinez, Sabrina Teixeira,Cantillo, David,Kappe, C. Oliver
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supporting information
p. 10241 - 10244
(2013/10/21)
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- Guanidine catalyzed aerobic reduction: A selective aerobic hydrogenation of olefins using aqueous hydrazine
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An efficient aerobic reduction of olefins, internal as well as terminal, is developed using guanidine as an organocatalyst. A remarkable chemoselectivity in reduction has been demonstrated in the presence of a variety of functional groups and protective groups and a selective reduction of a terminal olefin in the presence of an internal olefin is revealed.
- Lamani, Manjunath,Guralamata, Ravikumara Siddappa,Prabhu, Kandikere Ramaiah
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supporting information; experimental part
p. 6583 - 6585
(2012/07/14)
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- Iron(III) chloride-catalysed aerobic reduction of olefins using aqueous hydrazine at ambient temperature
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A chemoselective reduction of olefins and acetylenes is demonstrated by employing catalytic amounts of ferric chloride hexahydrate (FeCl 3·6 H2O) and aqueous hydrazine (NH 2NH2·H2O) as hydrogen source at room temperature. The reduction is chemoselective and tolerates a variety of reducible functional groups. Unlike other metal-catalysed reduction methods, the present method employs a minimum amount of aqueous hydrazine (1.5-2 equiv.). Also, the scope of this method is demonstrated in the synthesis of ibuprofen in aqueous medium. Copyright
- Lamani, Manjunath,Ravikumara, Guralamata S.,Prabhu, Kandikere Ramaiah
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supporting information; experimental part
p. 1437 - 1442
(2012/07/03)
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- Small molecules that regulate zymosan phagocytosis of macrophage through deactivation of Rho GTPases
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Phagocytosis and subsequent degradation of pathogens by macrophages play a pivotal role in host innate immune response to microbial infections. To find small molecule regulators for the investigation of complicated phagocytic process, we screened our in-h
- Bang, Joon Seok,Kim, Young Jin,Song, Jiho,Yoo, Jong-Sun,Lee, Seul,Lee, Mi Ji,Min, Hyeyoung,Hwang, Kwang Woo,Min, Kyung Hoon
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p. 5262 - 5268
(2012/11/07)
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- Palladium-supported ionic liquid catalyst (Pd-SH-SILC) immobilized on mercaptopropyl silica gel as a chemoselective, reusable and heterogeneous catalyst for catalytic hydrogenation
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Palladium acetate was immobilized as Pd-SH-SILC (Pd-supported ionic liquid catalyst) in the pores of amorphous mercaptopropyl silica gel with the aid of an ionic liquid [bmim]BF4. The heterogeneous Pd-SH-SILC was effective for catalytic hydrogenation of a variety of olefins at atmospheric pressure and room temperature. It withstood recycling up to 10 times by decantation.
- Hagiwara, Hisahiro,Nakamura, Tomomi,Hoshi, Takashi,Suzuki, Toshio
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scheme or table
p. 1133 - 1137
(2011/06/26)
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- Design, synthesis and biological evaluation of new ionone derivatives as potential neuroprotective agents in cerebral ischemia
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A new series of ionone derived allylic alcohols have been evaluated for anti-ischemic activity. Out of them, 12f and 13b decreased infarct volume to 23.98?±?4.7?mm3 and 93.98?±?24.8?mm3 as compared to ischemic group.
- Srivastava, Ajay Kumar,Dohare, Preeti,Ray, Madhur,Panda, Gautam
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supporting information; body text
p. 1964 - 1971
(2010/06/20)
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- Chemoselective hydrogenation method catalyzed by Pd/C using diphenylsulfide as a reasonable catalyst poison
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While Pd/C is one of the most useful catalysts for hydrogenation, the high catalyst activity of Pd/C causes difficulty in its application to chemoselective hydrogenation between different types of reducible functionalities. In order to achieve chemoselective hydrogenation using Pd/C, we investigated catalyst poison as a controller of the catalyst activity. We found that the addition of Ph2S (diphenylsulfide) to the Pd/C-catalyzed hydrogenation reaction mixture led to reasonable deactivation of Pd/C. By the use of the Pd/C-Ph2S catalytic system, olefins, acetylenes, and azides can be selectively reduced in the coexistence of aromatic carbonyls, aromatic halides, cyano groups, benzyl esters, and N-Cbz (benzyloxycarbonyl) protecting groups. The present method is promising as a general and practical chemoselective hydrogenation process in synthetic organic chemistry.
- Mori, Akinori,Mizusaki, Tomoteru,Miyakawa, Yumi,Ohashi, Eri,Haga, Tomoko,Maegawa, Tomohiro,Monguchi, Yasunari,Sajiki, Hironao
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p. 11925 - 11932
(2007/10/03)
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- High birefringence nematic liquid crystals for display and telecom applications
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Several compounds with high birefringence and, having tolane structure were synthesized. For a high polarizability, isothiocyanato (NCS) terminal group was introduced. Another goal of this study was reduction of melting point and smectic phases by introduction of fluorine as lateral substituent. The transition temperatures for all the synthesized compounds and the refractive and dielectric indices for one of the compounds have been determined. Electro-optic (EO) measurements were also performed.
- Catanescu, Carmen Otilia,Chien,Wu, Shin-Tson
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p. 93/[1135]-102/[1144]
(2007/10/03)
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- Optically active compound and photosensitive resin composition
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A photoactive compound is used in combination with a photosensitizer, represented by the following formula (1): A?[(J)m?(X-Pro)]n ??(1) wherein A represents a hydrophobic unit comprising at least one kind of hydrophobic groups selected from a hydrocarbon group and a heterocyclic group, J represents a connecting group, X-Pro represents a hydrophilic group protected by a protective group Pro which is removable by light exposure, m represents 0 or 1, and n represents an integer of not less than 1. The protective group Pro may be removable by light exposure in association with the photosensitizer (especially, a photo acid generator), or may be a hydrophobic protective group. The hydrophilic group may be a hydroxyl group or a carboxyl group. The photoactive compound has high sensitivity to a light source of short wavelength beams, for resist application, therefore, the photoactive compound is advantageously used for forming a pattern with high resolution.
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- PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES
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A process for preparing a compound represented by the following formula: wherein each symbol is as defined below, or a salt thereof, characterized by subjecting a compound represented by the following formula: wherein R1 is an electron-attracting group; R2, R3, R4, R5, R6 and R7 are each a hydrogen atom, a halogen atom, an optionally substituted amino group, an optionally substituted hydroxyl group, an optionally substituted thiol group, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group, provided that R6 and R7 may be united to form a ring; and R8 is a hydrogen atom or an optionally substituted hydrocarbon group, or a salt thereof, to a ring-closing reaction.
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- ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS
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The present invention describes certain alkyloxyamino-substituted fluorenones which inhibit protein kinase C, as well as pharmaceutical compositions including these compounds and methods of using these compounds to control protein kinase C activity in mammals, including humans. More specifically, the present compounds are useful for the treatment of neoplastic disease states, disorders associated with abnormal blood flow (including hypertension, ischemia, atherosclerosis, coagulation disorders), and inflammatory diseases (including immune disorders, asthma, lung fibrosis, and psoriasis).
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- The X-ray crystal structures and computational analysis of NH...π hydrogen bonded banana-shaped carbazole derivatives and thermal analysis of higher mesogenic homologues
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The synthesis of a series of banana-shaped mesogenic structures has been carried out, in which the bend unit is formed by the 3,6-substitution of carbazole by 4-alkoxyphenyl moieties. The crystal structures of the methoxy and propyloxy derivatives are reported with an analysis of the N-H...π interactions that are observed in the crystalline state. This analysis was aided by semi-empirical molecular orbital calculations. Additionally, the thermal analysis of the complete series has been carried out in order to investigate the phase properties of these materials. The 4-nonyloxyphenyl derivative displays two melting points by DSC and normal light microscopy, but yields non-birefringent liquids. The incorporation of photorefractive molecular units, such as carbazole. into anisotropic materials may offer many advantages over conventional electrical poling of photorefractive polymers.
- Belloni, Maura,Manickam,Ashton, Peter R.,Kariuki, Benson M.,Preece, Jon A.,Spencer, Neil,Wilkie, John
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- Discotic liquid crystals of transition metal complexes, 31: Establishment of mesomorphism and thermochromism of bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel complexes
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Two series of bis[1,2-bis(4-n-alkylphenyl)ethane-1,2-dithiolene]nickel, Cn-Ni (n= 1-12), and bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel, CnO-Ni(n = 1-12, 14, 16, 18), have been synthesized. Their mesomorphism, thermochromism, supramolecular structures and π-acceptor property have been investigated by using different scanning calorimetry, polarizing microscopy, temperature-dependent X-ray diffraction technique, electronic spectroscopy and cyclic voltammetry. From the X-ray diffraction and electronic spectral results, it was established that the CnO-Ni complexes for n ≤ 10 exhibit two differently colored discotic lamellar (DL) mesophases whereas none of the Cn-Ni complexes has a mesophase, and that the thermochromism (brown→green) is attributable to a slow transformation from the Ni-Ni bonded dimers to the Ni-S bonded dimers.
- Horie,Takagi,Hasebe,Ozawa,Ohta
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p. 1063 - 1071
(2007/10/03)
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- Heterocyclic compounds
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The invention concerns pharmaceutically useful compounds of the formula I, in which A1, A2, A3, A4, B1, m, Ar, W, X, Y, Z and R1 have any of the meanings defined herein, and their pharmaceutically acceptable salts, and pharmaceutical compositions containing them. The novel compounds possess endothelin receptor antagonist activity and are useful, for example, in the treatment of diseases or medical conditions in which elevated or abnormal levels of endothelin play a significant causative role. The invention further concerns processes for the manufacture of the novel compounds and the use of the compounds in medical treatment.
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- Kaolin-assisted Aromatic Chlorination and Bromination
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Moist kaolin catalyses the regioselective and high-yielding chlorination and bromination of C6H5OR (R = C1-C8 alkyl. Bu1, allyl, cyclohexyl, benzyl) to 4-XC6H4OR (X = Cl and Br, respectively) with NaCl02 and Mn(acac)3 in CH2Cl2 in the absence and presence of NaBr, respectively, under mild and neutral conditions.
- Hirano, Masao,Monobe, Hiroyuki,Yakabe, Shigetaka,Morimoto, Takashi
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p. 662 - 663
(2007/10/03)
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- Regioselective aromatic monobromination of alkyl phenyl ethers with NaClO2, NaBr, Mn(acac)3, and Montmorillonite K10 in dichloromethane
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Regioselective and high-yielding nuclear monobromination of aromatic ethers can be accomplished with a combination of NaClO2, NaBr, and Mn(acac)3 catalyst in dilchloromethane under mild and neutral conditions with the aid of Montmorillonite K10.
- Hirano, Masao,Yakabe, Shigetaka,Monobe, Hiroyuki,Morimoto, Takashi
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p. 669 - 676
(2007/10/03)
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- Nuclear monobromination of alkyl phenyl ethers with NaClO2, NaBr, Mn(acac)3, and moist silica gel in aprotic solvent
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Nuclear monobromination of aromatic ethers can be achieved with a NaClO2/NaBr/Mn(acac)3 catalyst/silica gel system in dichloromethane in regioselective and high-yielding manner under mild conditions.
- Hirano, Masao,Monobe, Hiroyuki,Yakabe, Shigetaka,Morimoto, Takashi
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p. 1463 - 1470
(2007/10/03)
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- Synthesis of Mesogenic Compounds, Catalyzed by Metal Complexes. I. Monoalkylation and Monoarylation of 1,4-Dibromobenzene in the Synthesis of 4-n-Alkyl- and 4-n-Alkoxy-4'-Cyanobiphenyls Catalyzed by Palladium
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New methods of synthesis of mesomorphic 4-n-alkyl- and 4-n-alkoxy-4'-cyanobiphenyls are developed, based on the palladium catalyzed highly selective reactions of 1,4-dibromobenzene with alkyl and aryl Grignard reagents.
- Bumagin, N. A.,Luzikova, E. V.,Beletskaya, I. P.
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p. 1480 - 1486
(2007/10/03)
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