Name: SGL5213
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670389
Cas No:1240305-17-2
常用名:SGL5213
IUPAC:(3E)-N-(1-{[2-(dimethylamino)ethyl]carbamoyl}-1-methylethyl)-4-(4-{[4-methoxy-2-(propan-2-yl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl}phenyl)-2,2-dimethylbut-3-enamide
IUPAC:(3E)-N-(1-{[2-(dimethylamino)ethyl]carbamoyl}-1-methylethyl)-4-(4-{[4-methoxy-2-(propan-2-yl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl}phenyl)-2,2-dimethylbut-3-enamide
InChI key:MUBBPBZRFJGZEU-XSPPBVGUSA-N

分子式:C37H55N3O8
分子量:669.86
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:3.0733461
SMILES:COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES:COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

SGL5213 is an oral active and low-absorbable inhibitor of sodium-dependent glucose cotransporter 1 (SGLT1)(hSGLT1 and hSGLT2 with IC50 values of 29 nM and 20 nM , respectively),and has potential to treat type 2 diabetes.

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