Celecoxib Carboxylic Acid

Celecoxib carboxylic acid is an inactive metabolite of the COX-2 inhibitor celecoxib (Cay-10008672). It is formed from celecoxib primarily by the cytochrome P450 (CYP) isoform CYP2C9.Formal Name: 4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]-benzoic acid. CAS Number: 170571-01-4. Molecular Formula: C17H12F3N3O4S. Formula Weight: 411.4. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml, Ethanol:PBS (pH 7.2) (1:6): 0.12 mg/ml, PBS (pH 7.2): slightly soluble. SMILES: FC(F)(C1=NN(C2=CC=C(C=C2)S(=O)(N)=O)C(C(C=C3)=CC=C3C(O)=O)=C1)FFC(F)(C1=NN(C2=CC=C(C=C2)S(=O)(N)=O)C(C(C=C3)=CC=C3C(O)=O)=C1)F. InChi Code: InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27). InChi Key: WTHNOVFEXONZMI-UHFFFAOYSA-N.