化学
共价键
组合化学
产量(工程)
杂质
过程(计算)
下游(制造业)
弹头
克拉斯
下游加工
级联
胺气处理
纳米技术
过程开发
丙烯酰胺
可扩展性
基础(拓扑)
活性成分
制造工艺
弱碱
批处理
肽
流动化学
计算机科学
蛋白酶抑制剂(药理学)
化学工程
药物发现
吞吐量
分辨率(逻辑)
自由基
色谱法
作者
Gaolei Zuo,Yaobin Zhang,Zhi Liu,Jinyue Tu,Mengyuan Zhang,Donghui Gou,Bo Xu,Ligang Wu,Like Chen,Guiping Zhang
标识
DOI:10.1021/acs.oprd.5c00480
摘要
A combined batch-continuous-flow process was devised for the synthesis of the covalent KRASG12C inhibitor GH35 (1), specifically designed to address the challenging dimerization of its acrylamide warhead during the acryloylation reaction. By the use of flow chemistry, the formation of the critical dimeric impurity GH35-IM03 was effectively suppressed, enabling a scalable and robust manufacturing process. This approach reduced GH35-IM03 to 0.22% in the free base of GH35, significantly facilitating downstream purification and improving the overall yield. At the 58.6 kg scale for the drug substance (mesylate salt), the optimized process achieved an overall yield of 66.4%, representing a 24.7% increase over the conventional first-in-human batch process. The methodology establishes a reference strategy for managing reactive impurity formation in the synthesis of Michael-acceptor-based covalent inhibitors.
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