Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1H-benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors

Tim Cernak, Nathan J. Gesmundo, Kevin Dykstra, Yang Yu, Zhicai Wu, Zhi Cai Shi, Petr Vachal, Donald Sperbeck, Shuwen He, Beth Ann Murphy, Lisa Sonatore, Steven Williams, Maria Madeira, Andreas Verras, Maud Reiter, Claire Heechoon Lee, James Cuff, Edward C. Sherer, Jeffrey Kuethe, Stephen GobleNicholas Perrotto, Shirly Pinto, Dong Ming Shen, Ravi Nargund, James Balkovec, Robert J. DeVita, Spencer D. Dreher

Research output: Contribution to journalArticlepeer-review

67 Scopus citations

Abstract

Miniaturization and parallel processing play an important role in the evolution of many technologies. We demonstrate the application of miniaturized high-throughput experimentation methods to resolve synthetic chemistry challenges on the frontlines of a lead optimization effort to develop diacylglycerol acyltransferase (DGAT1) inhibitors. Reactions were performed on ∼1 mg scale using glass microvials providing a miniaturized high-throughput experimentation capability that was used to study a challenging SNAr reaction. The availability of robust synthetic chemistry conditions discovered in these miniaturized investigations enabled the development of structure-activity relationships that ultimately led to the discovery of soluble, selective, and potent inhibitors of DGAT1.

Original languageEnglish
Pages (from-to)3594-3605
Number of pages12
JournalJournal of Medicinal Chemistry
Volume60
Issue number9
DOIs
StatePublished - 11 May 2017
Externally publishedYes

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