Name: RMC-4998
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218851487
Cas No:2642037-07-6
常用名:RMC-4998
别名:RMC4998
IUPAC:2-{7-[4-(dimethylamino)-4-methylpent-2-ynoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-{22-ethyl-21-[2-(1-methoxyethyl)pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1^{2,6}.1^{10,14}.0^{23,27}]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl}-3-methylbutanamide
IUPAC:2-{7-[4-(dimethylamino)-4-methylpent-2-ynoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-{22-ethyl-21-[2-(1-methoxyethyl)pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1^{2,6}.1^{10,14}.0^{23,27}]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl}-3-methylbutanamide
InChI key:VYZILERTWJIGRC-UHFFFAOYSA-N

分子式:C57H74N8O7
分子量:983.268
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCn1c(c2CC(C)(C)COC(=O)C3CCCN(N3)C(=O)C(Cc3cccc(c3)-c3ccc1c2c3)NC(=O)C(C(C)C)N1CCC2(CCN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O)-c1cccnc1C(C)OC
SMILES:CCn1c(c2CC(C)(C)COC(=O)C3CCCN(N3)C(=O)C(Cc3cccc(c3)-c3ccc1c2c3)NC(=O)C(C(C)C)N1CCC2(CCN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O)-c1cccnc1C(C)OC

RMC-4998是一种可口服的KRASG12C突变体抑制剂，靶向KRASG12C突变体的活性状态或GTP结合状态，并且结合细胞内CYPA形成三重复合物，抑制ERK信号通路，诱导细胞凋亡，对肿瘤研究具有重要意义。

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