Rohde, Jason M.; Karavadhi, Surendra; Pragani, Rajan; Liu, Li; Fang, Yuhong; Zhang, Weihe; McIver, Andrew; Zheng, Hongchao; Liu, Qingyang; Davis, Mindy I.; Urban, Daniel J.; Lee, Tobie D.; Cheff, Dorian M.; Hollingshead, Melinda; Henderson, Mark J.; Martinez, Natalia J.; Brimacombe, Kyle R.; Yasgar, Adam; Zhao, Wei; Klumpp-Thomas, Carleen; Michael, Sam; Covey, Joseph; Moore, William J.; Stott, Gordon M.; Li, Zhuyin; Simeonov, Anton; Jadhav, Ajit; Frye, Stephen; Hall, Matthew D.; Shen, Min; Wang, Xiaodong; Patnaik, Samarjit; Boxer, Matthew B. published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Discovery and Optimization of 2H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer》.Computed Properties of C8H6BrN The article contains the following contents:
Neomorphic mutations in isocitrate dehydrogenase 1 (IDH1) are oncogenic for a number of malignancies, primarily low-grade gliomas and acute myeloid leukemia. We report a medicinal chem. campaign around a 7,7-dimethyl-7,8-dihydro-2H-1λ2-quinoline-2,5(6H)-dione screening hit against the R132H and R132C mutant forms of isocitrate dehydrogenase (IDH1). Systematic SAR efforts produced a series of potent pyrid-2-one mIDH1 inhibitors, including the atropisomer (+)-119 (NCATS-SM5637, NSC 791985). In an engineered mIDH1-U87-xenograft mouse model, after a single oral dose of 30 mg/kg, 16 h post dose, between 16 and 48 h, (+)-119(I) showed higher tumoral concentrations that corresponded to lower 2-HG concentrations, when compared with the approved drug AG-120 (ivosidenib). In the experimental materials used by the author, we found 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Computed Properties of C8H6BrN)
According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Computed Properties of C8H6BrN
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts