Abstract
STRUCTURE: Sotorasib is an acrylamide-derived covalent inhibitor of KRAS that reacts with cysteine-12 present in mutated KRAS. Sotorasib contains a pyrido[2,3-d]pyrimidin-2(1H)-one core substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro, and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6, and 7, respectively. Its molecular formula is C30H30F2N6O3 and molecular weight is 560.6 g/mol. The (2,6)-dialkyl substitution of the pyridine ring restricts biaryl C-N bond rotation and affords a stable atropisomer.
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