Name: CST905
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219564707
Cas No:3094183-98-6
常用名:CST905
IUPAC:(2S,4R)-1-[(2S)-2-[2-(4-{4-[3-(3-{[ethyl(methyl)sulfamoyl]amino}-2,6-difluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl}piperazin-1-yl)acetamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-[2-(4-{4-[3-(3-{[ethyl(methyl)sulfamoyl]amino}-2,6-difluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl}piperazin-1-yl)acetamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:VOFGLMSAVUMRLF-FGUOTCRGSA-N

分子式:C51H58F2N10O7S2
分子量:1025.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)N2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1F
SMILES:CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)N2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1F

CST 905是一种强效且选择性的BRAFV600EDegrader (PROTAC)（DC50= 18 nM）。CST 905由连接到PLX衍生配体的von Hippel Lindau (VHL) E3连接酶配体及其链接器组成。与其他BRAFV600EDegraders不同，CST 905不激活ERK。

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