165538-35-2Relevant academic research and scientific papers
Design, synthesis and biological evaluation of novel benzopyran sulfonamide derivatives as 5-HT6 receptor ligands
Nirogi, Ramakrishna V. S.,Badange, Rajeshkumar,Reballi, Veena,Khagga, Mukkanti
, p. 2117 - 2124 (2015/11/28)
On the basis of a known pharmacophore model for 5-HT6 receptor antagonists (5-HT6R), we have designed and synthesized a novel series of benzopyran sulfonamide derivatives 9(a-d), 20(a-d) and 21(a-d) and their structures were confirmed by 1H NMR and mass spectral data. All the synthesized compounds were tested for their antagonistic activity towards 5-HT6R in a cell based reporter gene in vitro functional assay. Most of the tested compounds showed moderate to potent binding affinities towards 5-HT6R.
Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA
Joshi, Shrinivas D.,More, Uttam A.,Koli, Deepshikha,Kulkarni, Manoj S.,Nadagouda, Mallikarjuna N.,Aminabhavi, Tejraj M.
, p. 151 - 167 (2015/03/30)
Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.
Palladium-catalyzed intramolecular decarboxylative coupling of arene carboxylic acids/esters with aryl bromides
Shen, Zengming,Ni, Zhenjie,Mo, Song,Wang, Jing,Zhu, Yamin
supporting information; experimental part, p. 4859 - 4865 (2012/06/04)
Give me a ring? An efficient approach has been developed for the intramolecular decarboxylative coupling of arene carboxylic acids/esters with aryl bromides catalyzed by palladium (see scheme). From a synthetic viewpoint, this method is highly attractive because the catalyst loading is low, the optimized reaction conditions are mild, and the substrate scope is broad. Copyright
Efficient synthesis of chromones with alkenyl functionalities by the heck reaction
Patonay, Tams,Vasas, Attila,Kiss-Szikszai, Attila,Silva, Artur M. S.,Cavaleiro, Jos A. S.
experimental part, p. 1582 - 1593 (2011/08/04)
The usefulness of the Heck reaction in the field of chromones has been demonstrated. Bromochromones with the halogen atom in their rings A and B were reacted with various terminal alkenes to give hitherto unknown alkenyl-substituted chromones. Reactivity of the substrates was found to markedly depend on the position of the bromine atom. Under phosphine-free conditions using a phase-transfer catalyst additive (tetrabutylammonium bromide), shorter reaction periods and usually higher yields were obtained.
1,2,3,4-tetrahydronaphthalene compounds
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, (2008/06/13)
R1 and R2 form, with the carbon atoms to which they are attached, cyclopentane or cyclohexane, R3 represents hydroxyl, linear or branched (C1 -C6) alkoxy or unsubstituted or substituted amino,
