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Scalable Atroposelective Synthesis of MRTX1719: An Inhibitor of the PRMT5/MTA Complex

Michał Achmatowicz, Thomas Scattolin, David R. Snead, Dinesh J. Paymode, Sahar Roshandel, Chen Xie, Guihui Chen, Cheng‐yi Chen

2023Organic Process Research & Development13 citationsDOIOpen Access PDF

Abstract

High Resolution Image Download MS PowerPoint Slide MRTX1719 was identified as a potent inhibitor of the PRMT5/MTA complex, designed to selectively target MTAP -deleted cancers. A scalable synthesis of this atropisomeric compound and an efficient isolation of the desired isomer were required to support Phase 1 clinical trials, and this was established through further development of the racemic medicinal chemistry route. In the key step, the desired ( M )-atropisomer of MRTX1719 was amplified from racemic API by combining crystallization (20 °C) and racemization (160 °C, 4 min). Concurrent execution of these, ostensibly incompatible, operations was enabled by a continuous flow setup (SPACE = S imultaneous P rocessing of A ntagonistic C hemical E vents) providing 98.4% e.e. of ( M )-atropisomer in 75% yield from racemic API on 12 kg scale. Process development targeting earlier steps of the API synthesis led to several impactful revisions including desymmetrization of 4-chlorobenzamide to access the 6-substituted-4-(aminomethyl)phthalazin-1(2 H )-one ring system, improved borylation conditions (Suzuki–Miyaura or photocatalytic), and demonstration of an economically viable route to the challenging pentasubstituted benzene from 1,4-difluorobenzene and cyclopropyl methyl ketone.

Topics & Concepts

AtropisomerRacemizationDesymmetrizationChemistryCombinatorial chemistryYield (engineering)Enantioselective synthesisStereochemistryOrganic chemistryCatalysisMaterials scienceMetallurgyCancer-related gene regulationSynthesis and Catalytic ReactionsSynthetic Organic Chemistry Methods
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