CRT0036521

CRT0036521 is an inhibitor of prostaglandin F synthase, also known as aldo-keto reductase 1C3 (AKR1C3, IC50 = 0.013 µM). It is selective for prostaglandin F synthase/AKR1C3 over AKR1C1, AKR1C2, and AKR1C4 (IC50s = 20, >30, and >30 µM, respectively).Formal Name: 3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-benzoic acid. CAS Number: 327092-81-9. Molecular Formula: C16H15NO4S. Formula Weight: 317.4. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 33 mg/ml, DMSO: 25 mg/ml, Ethanol: Slightly soluble, PBS (pH 7.2): 0.25 mg/ml. SMILES: O=C(C1=CC=CC(S(=O)(N2CC3=C(CC2)C=CC=C3)=O)=C1)O. InChi Code: InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19). InChi Key: ZGVIUMKHTXKKOX-UHFFFAOYSA-N.