Name: MS21
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323206
Cas No:2376137-05-0
常用名:MS21
IUPAC:4-amino-N-[(1S)-1-(4-chlorophenyl)-3-[4-(10-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}decanoyl)piperazin-1-yl]propyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide
IUPAC:4-amino-N-[(1S)-1-(4-chlorophenyl)-3-[4-(10-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}decanoyl)piperazin-1-yl]propyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide
InChI key:UGJRTGFGCTUIRA-OBGAPNQASA-N

分子式:C58H79ClN12O6S
分子量:1107.86
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)N2CCN(CC[C@H](NC(=O)C3(N)CCN(CC3)c3ncnc4[nH]ccc34)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1

MS21 is a unique AKT degrader that selectively hampers the proliferation of cancers with mutations in the PI3K/PTEN pathway, alongside wild-type KRAS and BRAF.

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