5-hydroxy Diclofenac | CAS 69002-84-2 | AnyMole

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HIT212038002

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HIT212038002

HIT ID:HIT212038002
Cas No:69002-84-2
常用名:5-hydroxy Diclofenac
IUPAC:2-{2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid
IUPAC:2-{2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid
InChI key:VNQURRWYKFZKJZ-UHFFFAOYSA-N

分子式:C14H11Cl2NO3
分子量:312.15
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:3.9554439
SMILES:OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
SMILES:OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl

5-hydroxy Diclofenac is a metabolite of the NSAID diclofenac formed by the cytochrome P450 (CYP) isoform CYP3A4. Diclofenac is a non-selective COX inhibitor. It inhibits human COX-1 and -2 with IC50 values of 0.9-2.7 and 1.5-20 μM, respectively. Diclofenac inhibits ovine COX-1 and -2 with IC50 values of 60 and 220 nM, respectively.

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