Barsanti, Paul A.; Pan, Yue; Lu, Yipin; Jain, Rama; Cox, Matthew; Aversa, Robert J.; Dillon, Michael P.; Elling, Robert; Hu, Cheng; Jin, Xianming; Knapp, Mark; Lan, Jiong; Ramurthy, Savithri; Rudewicz, Patrick; Setti, Lina; Subramanian, Sharadha; Mathur, Michelle; Taricani, Lorena; Thomas, George; Xiao, Linda; Yue, Qin published an article on January 8 ,2015. The article was titled 《Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors》, and you may find the article in ACS Medicinal Chemistry Letters.Quality Control of 2-Bromo-5-nitropyridin-4-amine The information in the text is summarized as follows:
Compound I was discovered through morphing of the ATR biochem. HTS hit I. The ABI series was potent and selective for ATR. Incorporation of a 6-azaindole afforded a marked increase in cellular potency but was associated with poor PK and hERG ion channel inhibition. DMPK experiments established that CYP P 450 and AO metabolism in conjunction with Pgp and BCRP efflux were major causative mechanisms for the observed PK. The series also harbored the CYP3A4 TDI liability driven by the presence of both a morpholine and an indole moiety. Incorporation of an adjacent fluorine or nitrogen into the 6-azaindole addressed many of the various medicinal chem. issues encountered. In addition to this study using 2-Bromo-5-nitropyridin-4-amine, there are many other studies that have used 2-Bromo-5-nitropyridin-4-amine(cas: 84487-15-0Quality Control of 2-Bromo-5-nitropyridin-4-amine) was used in this study.
2-Bromo-5-nitropyridin-4-amine(cas: 84487-15-0) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Quality Control of 2-Bromo-5-nitropyridin-4-amine