Name: ACBI2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850629
Cas No:2913161-19-8
常用名:ACBI2
IUPAC:(2S,4R)-N-[(1S,4S)-6-(4-{6-bromo-11-cyclopentyl-8-oxo-1,9,11-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,9,12,14,16-heptaen-14-yl}piperidin-1-yl)-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
IUPAC:(2S,4R)-N-[(1S,4S)-6-(4-{6-bromo-11-cyclopentyl-8-oxo-1,9,11-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,9,12,14,16-heptaen-14-yl}piperidin-1-yl)-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
InChI key:JBTHUOYYUUPUOZ-LIHPQFRDSA-N

分子式:C56H68BrFN8O5S
分子量:1064.17
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C)CCN1CCC(CC1)c1ccc2c(c1)n(C1CCCC1)c1nc(=O)c3c(Br)cccc3n21
SMILES:C[C@@H](CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C)CCN1CCC(CC1)c1ccc2c(c1)n(C1CCCC1)c1nc(=O)c3c(Br)cccc3n21

ACBI2 是一种高效且具有口服活性的VHLPROTAC(EC50: 7 nM)，可降解SMARCA2(RKO 细胞中DC50: 1 nM)。ACBI2 可用于肺癌的研究。

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