- Near-infrared fluorescent compound with AIE performance as well as preparation method and application thereof
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The invention relates to the technical field of organic synthesis and novel materials and particularly relates to a near-infrared fluorescent compound with AIE performance as well as a preparation method and application thereof. According to the fluoresce
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Paragraph 0095; 0103; 0104
(2018/12/14)
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- Synthesis, biological evaluation and in silico molecular modeling of pyrrolyl benzohydrazide derivatives as enoyl ACP reductase inhibitors
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In efforts to develop lead anti-TB compounds, a novel series of 19 pyrrolyl benzohydrazides were synthesized and screened to target enoyl-ACP reductase enzyme, which is one of the important enzymes involved in type II fatty acid biosynthetic pathway of M.
- Joshi, Shrinivas D.,Dixit, Sheshagiri R.,Kulkarni, Venkatarao H.,Lherbet, Christian,Nadagouda, Mallikarjuna N.,Aminabhavi, Tejraj M.
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p. 286 - 297
(2016/12/09)
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- Pd/Cu-catalyzed dual C-H bond carbonylation towards the synthesis of fluorazones
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Pd/Cu catalyzed oxidative dual C-H bond activation/carbonylation still remains a great challenge due to the generation of by-products via C-C bond formation. Herein we developed a straightforward Pd/Cu-catalyzed oxidative dual C-H bond carbonylation process to access biologically and pharmaceutically important fluorazones from easily available N-aryl pyrroles and CO. A wide range of functional groups were well tolerated in this transformation, and O2 could be utilized as the only terminal oxidant to promote the oxidative carbonylation process.
- Liao, Fan,Shi, Renyi,Sha, Yuchen,Xia, Jianhui,Liao, Weilin,Lei, Aiwen
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supporting information
p. 4354 - 4357
(2017/04/21)
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- KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE
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Disclosed herein are new compounds and compositions and their application as pharmaceuticals for the treatment of diseases. Methods of inhibition of KDM1A, methods of increasing gamma globin gene expression, and methods to induce differentiation of cancer cells in a human or animal subject are also provided for the treatment of diseases such as acute myelogenous leukemia.
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Paragraph 0563; 0564
(2016/09/26)
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- Synthesis, characterization and antitubercular activities of novel pyrrolyl hydrazones and their Cu-complexes
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Novel pyrrolyl hydrazones and their copper complexes have been synthesized and characterized using analytical and spectral techniques to show the tetrahedral geometry for Cu(II) complexes. Biological activities of hydrazones have been assessed to understand the role of metal ion on their biological activity and the effect of pyrrolyl hydrazones. In?vitro antitubercular activity against Mycobacterium tuberculosis of the metal complexes (13b and 13r) exhibited the highest antitubercular activity that are quite close to rifampicin (0.4?μg/mL), giving a MIC of 0.8?μg/mL. All other compounds showed good activity with the MIC values ranging from 1.6 to 100?μg/mL. A comparative study of inhibition values of the ligands and their complexes showed higher antimicrobial activity of the complexes than the ligands. Some compounds have a good activity against InhA and in particular, compounds 12r, 13b and 13r exhibited more than 60% binding with the enzyme even at 5?μM (exhibited good IC50 upto 2.4?μM). Most of the active molecules have a very less cytotoxicity against the human lung cancer cell-line A549. The docking and 3D-QSAR studies have been carried out to provide some insights into the mechanism of action for this class of compounds.
- Joshi, Shrinivas D.,Kumar, Devendra,Dixit, Sheshagiri R.,Tigadi, Nageshwar,More, Uttam A.,Lherbet, Christian,Aminabhavi, Tejraj M.,Yang, Kap Seung
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- Electronically Strongly Coupled Divinylheterocyclic-Bridged Diruthenium Complexes
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Complexes [{Ru(CO)Cl(PiPr3)2}2(μ-2,5-(CH=CH)2-cC4H2E] (E=NR; R=C6H4-4-NMe2 (10a), C6H4-4-OMe (10b), C6H4-4-Me (10c), C6H5 (10d), C6H4-4-CO2Et (10e), C6H4-4-NO2 (10f), C6H3-3,5-(CF3)2 (10g), CH3 (11); E=O (12), S (13)) are discussed. The solid state structures of four alkynes and two complexes are reported. (Spectro)electrochemical studies show a moderate influence of the nature of the heteroatom and the electron-donating or -withdrawing substituents R in 10a-g on the electrochemical and spectroscopic properties. The CVs display two consecutive one-electron redox events with ΔE°′=350-495 mV. A linear relationship between ΔE°′ and the σp Hammett constant for 10a-f was found. IR, UV/Vis/NIR and EPR studies for 10+-13+ confirm full charge delocalization over the {Ru}CH=CH-heterocycle-CH=CH{Ru} backbone, classifying them as Class III systems according to the Robin and Day classification. DFT-optimized structures of the neutral complexes agree well with the experimental ones and provide insight into the structural consequences of stepwise oxidations.
- Pfaff, Ulrike,Hildebrandt, Alexander,Korb, Marcus,O?wald, Steffen,Linseis, Michael,Schreiter, Katja,Spange, Stefan,Winter, Rainer F.,Lang, Heinrich
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p. 783 - 801
(2016/01/15)
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- Synthesis and antimicrobial activities of some novel pyrrolyl pyrrolidine derivatives
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A series of N'-(4-(1H-pyrrol-1-yl)benzoyl)-5-oxo-1-substituted phenylpyrrolidine-3- carbohydrazides (VIIa-f) was synthesized by the reaction of 5-oxo-1-substituted phenylpyrrolidine-3-carboxylic acids (VIa-f) with 4-(1H-pyrrol-1-yl)benzoic acid hydrazide
- Joshi, Shrinivas D.,Dixit, Sheshagiri R.,Sanjay, Khadela,Kulkarni, Venkatrao H.
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- Synthesis, antibacterial and antitubercular activities of novel n1- [2-(substituted phenylamino) acetyl]-4-(1H-pyrrol-1-yl)- benzohydrazide derivatives
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With an objective of synthesizing potent antitubercular agents, here we have synthesized some novel pyrrole derivatives. In this ethyl-4-pyrrol-1-yl-benzoate (I) was synthesized by the reaction of benzocaine with 2,5-dimethoxytetrahydrofuran in the presen
- Pradeep Kumar,Joshi, Shrinivas D.,Dixit, Sheshagiri R.,Kulkarni
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- Benzoic acid derivatives with improved antifungal activity: Design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies
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Previously, we identified CYP53 as a fungal-specific target of natural phenolic antifungal compounds and discovered several inhibitors with antifungal properties. In this study, we performed similarity-based virtual screening and synthesis to obtain benzo
- Berne, Sabina,Kova?i?, Lidija,Sova, Matej,Kra?evec, Nada,Gobec, Stanislav,Kri?aj, Igor,Komel, Radovan
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p. 4264 - 4276
(2015/08/03)
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- Synthesis, characterization, biological activity, and 3D-QSAR studies on some novel class of pyrrole derivatives as antitubercular agents
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A new series of pyrrole derivatives have been designed, synthesized, and their structures have been elucidated along with the evaluation of antitubercular activity against Mycobacterium tuberculosis H37Rv using the microplate alamar blue assay method and antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae, and Escherichia coli by broth micro-dilution assay method. Structural activity relationships and 3D-QSAR analysis have been carried out by Topomer Comparative Molecular Field Analysis (CoMFA). Training set of 42 and test set of 8 active compounds were used to develop the method that showed cross-validated correlation coefficient (q 2) of 0.815, standard error of prediction of 0.36, non-cross-validated correlation coefficient (r 2) of 0.973, and standard error of estimate of 0.14 with six components. Graphical Abstract: Synthesis; spectral and 3D-QSAR studies; and antibacterial, antitubercular, and cytotoxic activities of a novel series of pyrrole derivatives are described.[Figure not available: see fulltext.]
- Joshi, Shrinivas D.,More, Uttam A.,Dixit, Sheshagiri R.,Korat, Haresh H.,Aminabhavi, Tejraj M.,Badiger, Aravind M.
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p. 1123 - 1147
(2014/03/21)
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- Design, synthesis, molecular docking and 3D-QSAR studies of potent inhibitors of enoyl-acyl carrier protein reductase as potential antimycobacterial agents
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In order to develop a lead antimycobacterium tuberculosis compound, a series of 52, novel pyrrole hydrazine derivatives have been synthesized and screened which target the essential enoyl-ACP reductase. The binding mode of the compounds at the active site of enoyl-ACP reductase was explored using surflex-docking method. The binding model suggests one or two hydrogen bonding interactions between pyrrole hydrazones and InhA enzyme. Highly active compound 5r (MIC 0.2 μg/mL) showed hydrogen bonding interactions with Tyr158 and NAD+ in the same manner as those of ligands PT70 and triclosan. The CoMFA and CoMSIA models generated with database alignment were the best in terms of overall statistics. The predictive ability of the CoMFA and CoMSIA models was determined using a test set of 13 compounds, which gave predictive correlation coefficients (rpred2) of 0.896 and 0.930, respectively.
- More, Uttam A.,Joshi, Shrinivas D.,Aminabhavi, Tejraj M.,Gadad, Andanappa K.,Nadagouda, Mallikarjuna N.,Kulkarni, Venkatrao H.
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p. 199 - 218
(2014/01/06)
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- L-(+)-Tartaric acid and choline chloride based deep eutectic solvent: An efficient and reusable medium for synthesis of N-substituted pyrroles via Clauson-Kaas reaction
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l-(+)-Tartaric acid-choline chloride based deep eutectic solvent has been found to be an effective promoted medium for Clauson-Kaas reaction of aromatic amines and 2,5-dimethoxytetrahydrofuran. Structurally diverse N-substituted pyrroles were obtained in high to excellent yields under mild conditions. The deep eutectic solvent is inexpensive, non-toxic, reusable and biodegradable.
- Wang, Ping,Ma, Fei-Ping,Zhang, Zhan-Hui
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p. 259 - 262
(2014/11/07)
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- Synthesis of pyrrole derivatives from diallylamines by one-pot tandem ring-closing metathesis and metal-catalyzed oxidative dehydrogenation
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A series of aryl-substituted pyrrole derivatives was synthesized from diallylamines through a ruthenium carbene catalyzed ring-closing metathesis reaction and in situ oxidative dehydrogenation reaction catalyzed by FeCl 3·6H2O or CuCl2·2H2O in the presence of O2. The reaction was mild, simple, and convenient. An oxygen atmosphere played a critical role in obtaining high conversion of substituted pyrroles in the proposed catalytic system.
- Chen, Weiqiang,Wang, Jianhui
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supporting information
p. 1958 - 1963
(2013/05/08)
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- A recyclable magnetic nanoparticles supported antimony catalyst for the synthesis of N-substituted pyrroles in water
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A new magnetic nanoparticle-supported antimony catalyst was prepared and evaluated as a recoverable catalyst for Clauson-Kaas reaction. The reaction proceeds efficiently in aqueous medium to give the corresponding N-substituted pyrroles in high yield. The immobilized catalyst could be easily recovered by magnetic separation and recycled for six times without significant loss of its catalytic activity.
- Ma, Fei-Ping,Li, Pei-He,Li, Bao-Le,Mo, Li-Ping,Liu, Ning,Kang, Hui-Jun,Liu, Ya-Nan,Zhang, Zhan-Hui
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- Copper ferrite nanoparticle-mediated N-arylation of heterocycles: A ligand-free reaction
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The synergistic effects of iron and copper in copper ferrite nanoparticles for the N-arylation of heterocycles with aryl halides were demonstrated. The magnetic nature of the catalyst facilitates its removal from the reaction medium for further use. Negligible leaching of Cu and Fe in consecutive cycles makes the catalyst economical and environmentally benign for C-N cross-coupling reactions.
- Panda, Niranjan,Jena, Ashis Kumar,Mohapatra, Sasmita,Rout, Smruti Ranjan
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experimental part
p. 1924 - 1927
(2011/04/25)
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- NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS
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The present invention relates to the novel compounds of the general formula (I), wherein the symbols are same as described in specification, their pharmaceutically acceptable salts, pharmaceutical compositions containing them, to process and intermediates for the preparation of the above said compounds, having the utility of these compounds in medicine and to methods for their therapeutic use, and their use in the treatment of metabolic disorders.
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- Highly practical "ligand-free-like" copper-catalyzed N-arylation of azoles in lower nitrile solvents
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In lower nitrile solvents, the N-arylation of azoles with aryl halides was achieved efficiently in the presence of copper powder without any additional ligands. Thus, the first nitrile type of monodentate ligand-mediated, "ligand-free-like" copper-catalyzed N-arylation procedure was established.
- Zhu, Rui,Xing, Lixin,Wang, Xinyan,Cheng, Chuanjie,Su, Deyong,Hu, Yuefei
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supporting information; experimental part
p. 1253 - 1257
(2009/06/18)
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- Pilot scale synthesis of a novel nonpeptide angiotensin II receptor antagonist
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FR143187 is a novel nonpeptide angiotensin II receptor antagonist under development at Fujisawa Pharmaceutical Co. for the treatment of hypertension. Development of a process for preparation on a large scale is described. The optimized process is 10 steps in length and uses only commercially available materials for each step. Efficient methylation of the 2-position of a pyrrole derivative was achieved by reduction of a Mannich base via the quaternary ammonium salt. Selective cyanation directed by a solvent effect was also investigated. Process improvement efforts focused on optimized reaction conditions for each step, leading to a high-quality product according to a new and concise synthetic route.
- Zanka, Atsuhiko,Nishiwaki, Masanori,Morinaga, Yasuhiro,Inoue, Takayuki
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p. 230 - 237
(2013/09/08)
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