Name: BR351 precursor
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671110
Cas No:960113-89-7
常用名:BR351 precursor
IUPAC:2-(4-{benzyl[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl]sulfamoyl}phenoxy)ethyl 4-methylbenzene-1-sulfonate
IUPAC:2-(4-{benzyl[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl]sulfamoyl}phenoxy)ethyl 4-methylbenzene-1-sulfonate
InChI key:IBVQTYQWCWLOAY-AREMUKBSSA-N

分子式:C27H32N2O8S2
分子量:576.68
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:4.591559
SMILES:CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)NO
SMILES:CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)NO

BR351 precursor is a precursor of BR351. BR351 is a brain penetrant MMP inhibitor (IC50s: 4, 2, 11, 50 nM for MMP2, MMP8, MMP9 and MMP13).

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