Name: MS8847
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219648513
Cas No:
常用名:MS8847
IUPAC:(2S,4R)-1-[(2S)-2-[11-(3-{4-[(3'-{[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamoyl}-5'-[ethyl(oxan-4-yl)amino]-4'-methyl-[1,1'-biphenyl]-4-yl)methyl]piperazin-1-yl}propanamido)undecanamido]-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-[11-(3-{4-[(3'-{[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamoyl}-5'-[ethyl(oxan-4-yl)amino]-4'-methyl-[1,1'-biphenyl]-4-yl)methyl]piperazin-1-yl}propanamido)undecanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:InChIKey=DGCDZRAZXAUSDI-HTYMRSPFSA-N

分子式:C70H98N10O8S
分子量:1239.68
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCN(CCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)cc1
SMILES:CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCN(CCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)cc1

MS8847 是一种高效的 EZH2 PROTAC 降解剂，它通过招募 E3 连接酶 von Hippel-Lindau (VHL) 作用。该化合物利用泛素蛋白酶体系统依赖性机制有效降解 EZH2，并能抑制急性髓系白血病 (AML) 和三阴性乳腺癌 (TNBC) 细胞的生长。

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