5044-37-1Relevant academic research and scientific papers
Near-infrared fluorescent compound with AIE performance as well as preparation method and application thereof
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Paragraph 0095; 0103; 0104, (2018/12/14)
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
Synthesis, biological evaluation and in silico molecular modeling of pyrrolyl benzohydrazide derivatives as enoyl ACP reductase inhibitors
Joshi, Shrinivas D.,Dixit, Sheshagiri R.,Kulkarni, Venkatarao H.,Lherbet, Christian,Nadagouda, Mallikarjuna N.,Aminabhavi, Tejraj M.
, p. 286 - 297 (2016/12/09)
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.
Pd/Cu-catalyzed dual C-H bond carbonylation towards the synthesis of fluorazones
Liao, Fan,Shi, Renyi,Sha, Yuchen,Xia, Jianhui,Liao, Weilin,Lei, Aiwen
supporting information, p. 4354 - 4357 (2017/04/21)
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.
Electronically Strongly Coupled Divinylheterocyclic-Bridged Diruthenium Complexes
Pfaff, Ulrike,Hildebrandt, Alexander,Korb, Marcus,O?wald, Steffen,Linseis, Michael,Schreiter, Katja,Spange, Stefan,Winter, Rainer F.,Lang, Heinrich
, p. 783 - 801 (2016/01/15)
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.
KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE
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Paragraph 0563; 0564, (2016/09/26)
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.
Synthesis, characterization and antitubercular activities of novel pyrrolyl hydrazones and their Cu-complexes
Joshi, Shrinivas D.,Kumar, Devendra,Dixit, Sheshagiri R.,Tigadi, Nageshwar,More, Uttam A.,Lherbet, Christian,Aminabhavi, Tejraj M.,Yang, Kap Seung
, p. 21 - 39 (2016/08/19)
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.
Benzoic acid derivatives with improved antifungal activity: Design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies
Berne, Sabina,Kova?i?, Lidija,Sova, Matej,Kra?evec, Nada,Gobec, Stanislav,Kri?aj, Igor,Komel, Radovan
, p. 4264 - 4276 (2015/08/03)
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
Synthesis and antimicrobial activities of some novel pyrrolyl pyrrolidine derivatives
Joshi, Shrinivas D.,Dixit, Sheshagiri R.,Sanjay, Khadela,Kulkarni, Venkatrao H.
, p. 61 - 64 (2019/01/21)
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
Synthesis, antibacterial and antitubercular activities of novel n1- [2-(substituted phenylamino) acetyl]-4-(1H-pyrrol-1-yl)- benzohydrazide derivatives
Pradeep Kumar,Joshi, Shrinivas D.,Dixit, Sheshagiri R.,Kulkarni
, p. 37 - 44 (2019/01/21)
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
Synthesis, characterization, biological activity, and 3D-QSAR studies on some novel class of pyrrole derivatives as antitubercular agents
Joshi, Shrinivas D.,More, Uttam A.,Dixit, Sheshagiri R.,Korat, Haresh H.,Aminabhavi, Tejraj M.,Badiger, Aravind M.
, p. 1123 - 1147 (2014/03/21)
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.]
