Name: DT2216
Rating: 5 (10 reviews)

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HIT ID:HIT212667159
Cas No:2365172-42-3
常用名:DT2216
IUPAC:(2S,4R)-1-[(2S)-2-(7-{4-[(3R)-3-{[4-({[4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)phenyl]formamido}sulfonyl)-2-trifluoromethanesulfonylphenyl]amino}-4-(phenylsulfanyl)butyl]piperazin-1-yl}-7-oxoheptanamido)-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-(7-{4-[(3R)-3-{[4-({[4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)phenyl]formamido}sulfonyl)-2-trifluoromethanesulfonylphenyl]amino}-4-(phenylsulfanyl)butyl]piperazin-1-yl}-7-oxoheptanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:PXVFFBGSTYQHRO-REQIQPEASA-N

分子式:C77H96ClF3N10O10S4
分子量:1542.36
氢键供体数 (HBD):5
氢键受体数 (HBA):15
LogP:9.815121
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CCC(C)(C)C3)c3ccc(Cl)cc3)CC2)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |t:74|
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CCC(C)(C)C3)c3ccc(Cl)cc3)CC2)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |t:74|

DT2216 抑制各种 Bcl-XL 依赖性白血病和癌细胞，但对血小板的毒性显着降低。DT2216 是一种选择性 B 细胞淋巴瘤，极大 (BCL-XL)，蛋白水解靶向嵌合体 (PROTAC)。DT2216 靶向 bcl-XL 到 Von Hippel-Lindau (VHL) E3 连接酶进行降解。

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