Name: XL-784 free base
Rating: 5 (10 reviews)

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HIT ID:HIT212672217
Cas No:1356992-21-6
常用名:XL-784 free base
IUPAC:2-methoxyethyl 4-[4-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate
IUPAC:2-methoxyethyl 4-[4-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate
InChI key:PRIJGYZAOBNIPH-UHFFFAOYSA-N

分子式:C21H22ClF2N3O8S
分子量:549.93
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:1.9425093
SMILES:COCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1
SMILES:COCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1

XL-784 free base is a selective inhibitor of matrix metalloproteinases (MMP), (IC50s of ~1900, 0.81, 120, 10.8, 18, 0.56 nM for MMP-1,MMP-2,MMP-3,MMP-8,MMP-9,MMP-13,respectively).

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