Name: SGC3027
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670384
Cas No:2624313-13-7
常用名:SGC3027
IUPAC:N-[4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butyl]-N-({4'-chloro-[1,1'-biphenyl]-3-yl}methyl)-3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
IUPAC:N-[4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butyl]-N-({4'-chloro-[1,1'-biphenyl]-3-yl}methyl)-3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
InChI key:MLJVGAYSVYMPSB-MSUKGTQXSA-N

分子式:C41H47ClN6O6S
分子量:787.37
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:6.071957
SMILES:CC1=C(C)C(=O)C(=C(C)C1=O)C(C)(C)CC(=O)N(CCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cccc(c1)-c1ccc(Cl)cc1 |c:1,t:6|
SMILES:CC1=C(C)C(=O)C(=C(C)C1=O)C(C)(C)CC(=O)N(CCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cccc(c1)-c1ccc(Cl)cc1 |c:1,t:6|

SGC3027 is an inhibitor of histone methyltransferase,also is a first potent, selective and cell active chemical probe for PRMT7.

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