Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA

Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA Descriptor: 1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2R)-1-{[(2S,6S,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-4-fluoro-N-methylpiperidine-4-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... Authors: Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. Deposit date: 2024-04-18 Release date: 2025-03-05 Last modified: 2025-04-09 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Discovery of Elironrasib (RMC-6291), a Potent and Orally Bioavailable, RAS(ON) G12C-Selective, Covalent Tricomplex Inhibitor for the Treatment of Patients with RAS G12C-Addicted Cancers. J.Med.Chem., 68, 2025Elironrasib（RMC-6291）、KRAS G12C与亲环蛋白A（CypA）的三元复合物 描述：1-[(2E)-4-(二甲氨基)-4-甲基戊-2-烯酰基]-N-[(2R)-1-{[(2S,6S,8S,10R,14S,21M)-22-乙基-21-{2-[(1S)-1-甲氧基乙基]吡啶-3-基}-18,18-二甲基-9,15-二氧代-5,16-二氧杂-2,10,22,28-四氮杂五环[18.5.2.1~2,6~.1~10,14~.0~23,27~]二十九碳-1(25),20,23,26-四烯-8-基]氨基}-3-甲基-1-氧代丁-2-基]-4-氟-N-甲基哌啶-4-甲酰胺（非推荐名称）、氯离子、GTP酶KRas（GTPase KRas）等 作者：Tomlinson, A.C.A、Saldajeno-Concar, M、Knox, J.E、Yano, J.K 存档日期：2024-04-18 发布日期：2025-03-05 最后修改日期：2025-04-09 检测方法：X射线衍射（分辨率1.4埃） 引用文献：《Elironrasib（RMC-6291）的发现：一种强效口服生物可利用的RAS(激活态)G12C选择性共价三元复合物抑制剂，用于治疗RAS G12C成瘾性癌症患者》，J.Med.Chem., 68, 2025