Name: PROTAC MEK1 Degrader-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851211
Cas No:2671004-41-2
常用名:PROTAC MEK1 Degrader-1
IUPAC:(2S,4R)-1-[(2S)-2-(2-{2-[2-(2-{3-[4-({2-[(2-fluoro-4-iodophenyl)amino]-1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl}sulfamoyl)phenyl]propanamido}ethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(2-{2-[2-(2-{3-[4-({2-[(2-fluoro-4-iodophenyl)amino]-1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl}sulfamoyl)phenyl]propanamido}ethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:RQBUNBWHIATPNI-WQWWALRQSA-N

分子式:C53H66FIN8O11S2
分子量:1201.18
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F)C(C)(C)C)c1ccc(cc1)-c1scnc1C

PROTACMEK1Degrader-1是一种针对MEK1的PROTAC，显示出pIC50值为7.0。该化合物由MEK1抑制剂与von Hippel-Lindau配体构成，能够抑制ERK1/2的磷酸化，并对A375细胞展现出抗增殖活性。

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