315707-22-3Relevant academic research and scientific papers
Crystal, Hirshfeld, ADMET, drug-like and anticancer study of some newly synthesized imidazopyridine containing pyrazoline derivatives
Kuthyala, Sharanya,Hanumanthappa, Manjuanatha,Madan Kumar,Sheik, Sana,Gundibasappa Karikannar, Nagaraja,Prabhu, Ashwini
, p. 65 - 72 (2019)
To steer the selection of a potent drug, computer models have been fostered as a valid alternative to reduce pharmacokinetics related failure. The present study mainly focuses on the relationship between molecular properties and anticancerous activity of some newly synthesized aza heterocycles. Twelve new imidazo[1,2-a]pyridine incorporated pyrazoline derivatives were synthesized and were well characterized by 1HNMR, 13CNMR, LC-MS analysis. X-ray study resolved the structure of 4g, 4i and 4j as monoclinic crystal system. To quantify the electrostatic potential distribution and percentage intermolecular contacts in crystal packing, Hirshfeld surface study was performed. Moreover, virtual screening focused on ADMET and drug-like attributes to identify a promising derivative among the series. The anticancerous activity of the compounds was evaluated against A549 cell line. The study was further validated by subjecting best active compounds to induced hemolysis, which finally confirmed 4j as a potent molecule both in computational and in vitro study.
CBr4 Mediated Oxidative C-N Bond Formation: Applied in the Synthesis of Imidazo[1,2-α]pyridines and Imidazo[1,2-α]pyrimidines
Huo, Congde,Tang, Jing,Xie, Haisheng,Wang, Yajun,Dong, Jie
supporting information, p. 1016 - 1019 (2016/03/15)
The carbon tetrabromide mediated oxidative carbon-nitrogen bond formation of 2-aminopyridines or 2-aminopyrimidines with β-keto esters or 1,3-diones, leading to a variety of complex imidazo[1,2-α]pyridines or imidazo[1,2-α]pyrimidines, is reported. The re
Inhibiting NF-κB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures
Li, Kexue,McGee, Lawrence R.,Fisher, Ben,Sudom, Athena,Liu, Jinsong,Rubenstein, Steven M.,Anwer, Mohmed K.,Cushing, Timothy D.,Shin, Youngsook,Ayres, Merrill,Lee, Fei,Eksterowicz, John,Faulder, Paul,Waszkowycz, Bohdan,Plotnikova, Olga,Farrelly, Ellyn,Xiao, Shou-Hua,Chen, Guoqing,Wang, Zhulun
, p. 1238 - 1244 (2013/03/28)
The discovery, structure-based design, synthesis, and optimization of NIK inhibitors are described. Our work began with an HTS hit, imidazopyridinyl pyrimidinamine 1. We utilized homology modeling and conformational analysis to optimize the indole scaffol
Synthesis of imidazo[1,2-a]pyridines by the bis(acetyloxy)(phenyl)- λ3-iodane-Mediated oxidative coupling of 2-aminopyridines with β-keto esters and 1,3-diones
Wang, Xianpei,Ma, Lijuan,Yu, Wei
supporting information; experimental part, p. 2445 - 2453 (2011/09/15)
Imidazo[1,2-a]pyridine-3-carboxylates can be prepared directly from 2-aminopyridines and β-keto esters by using bis(acetyloxy)(phenyl)- λ3-iodane as an oxidant and boron trifluoride etherate as a catalyst. The amount of catalyst plays a key rol
TBAI-catalyzed oxidative coupling of aminopyridines with β-keto esters and 1,3-diones - Synthesis of imidazo[1,2-a]pyridines
Ma, Lijuan,Wang, Xianpei,Yu, Wei,Han, Bing
supporting information; experimental part, p. 11333 - 11335 (2011/11/29)
TBAI could catalyze the direct oxidative C-N coupling of 2-aminopyridines with β-keto esters and 1,3-diones, which affords imidazo[1,2-a]pyridines as the products. The reaction was realized under metal-free conditions by using tert-butyl hydroperoxide (TB
