过程(计算)
过程开发
化学
制造工艺
组合化学
制造工程
计算机科学
工程类
材料科学
程序设计语言
复合材料
作者
Allen Y. Hong,Katarzyna A. Piechowicz,Jacob C. Timmerman,Haiming Zhang,Carmela Molinaro,Francis Gosselin
标识
DOI:10.1021/acs.oprd.4c00134
摘要
We report a fit-for-purpose, stereocontrolled, and chromatography-free first-generation manufacturing process for GDC-6599 (1), a TRPA1 inhibitor, to enable first-in-human clinical trials. Key steps in the process include consecutive KRED-mediated asymmetric ketone reductions, nucleophilic cyanation, 1,2,4-oxadiazole formation, and late stage purinone N-alkylation. The 13-step process successfully produced 4.39 kg of GDC-6599 (1) in 11% overall yield with 99.6 A% HPLC purity, >99.9:0.1 er, and >99.9:0.1 dr.
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