Acenocoumarol-d4

Acenocoumarol-d4 is intended for use as an internal standard for the quantification of acenocoumarol (Cay-10010569) by GC- or LC-MS. Acenocoumarol is an anticoagulant and vitamin K antagonist. It inhibits the reduction of vitamin K1 epoxide to vitamin K1 by vitamin K1 epoxide reductase (VKOR,IC50 = 1.5 and 5.8 nM for VKORC1 and VKORC1L1, respectively). Acenocoumarol also inhibits a variety of VKOR mutants in cell-based reporter assays (IC50s = 0.54-11.21 nM). It prolongs prothrombin time in rat blood when administered at a dose of 1.5 mg/kg.Formal Name: 4-hydroxy-3-[1-(4-nitrophenyl-2,3,5,6-d4)-3-oxobutyl]-2H-1-benzopyran-2-one. CAS Number: 2937878-24-3. Synonyms: (±)-Acenocoumarin-d4, (±)-Nicoumalone-d4. Molecular Formula: C19H11D4NO6. Formula Weight: 357.4. Purity: >99% deuterated forms (d1-d4). Formulation: (Request formulation change), A solid. Solubility: Acetonitrile: soluble, DMSO: soluble. SMILES: OC(C1=CC=CC=C1O2)=C(C(CC(C)=O)C3=C([2H])C([2H])=C([N+]([O-])=O)C([2H])=C3[2H])C2=O. InChi Code: InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3/i6D,7D,8D,9D. InChi Key: VABCILAOYCMVPS-YKVCKAMESA-N.