Leveraging High-Throughput Experimentation to Drive Pharmaceutical Route Invention: A Four-Step Commercial Synthesis of Branebrutinib (BMS-986195)

01 natural sciences 0104 chemical sciences
DOI: 10.1021/acs.oprd.1c00443 Publication Date: 2022-02-15T13:00:29Z
ABSTRACT
The invention of a commercial route to the Bruton's tyrosine kinase inhibitor branebrutinib (BMS-986195) in four total chemical steps is described. execution high-throughput experimentation (HTE) coupled with first-principles approach across proposed synthetic enabled identification novel indolization reaction that rapidly generated high complexity, as centerpiece synthesis. A parallel HTE strategy during design efficient and rapid evaluation multiple options within short timeframe complete rigorous process development while mitigating risks associated implementing new chemistry featuring an aggressive disconnection strategy.
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