Atorvastatin lactone-d5

Atorvastatin lactone-d5 is intended for use as an internal standard for the quantification of atorvastatin lactone (Cay-20951) by GC- or LC-MS. Atorvastatin lactone is an active metabolite of the HMG-CoA reductase inhibitor atorvastatin. It is formed from atorvastatin by the UDP-glucuronosyltransferase (UGT) isoforms UGT1A3 and UGT1A1 in insect cell-derived supersomes expressing the human enzymes, and hydrolyzes to form atorvastatin in human serum at room temperature. Atorvastatin lactone inhibits HMG-CoA reductase (IC50 = 0.007 µM for the rat liver enzyme). It also inhibits the cytochrome P450 (CYP) isoforms CYP2C9.1 and CYP2C9.3 (IC50s = 16.8 and 5.62 µM, respectively), as well as P-glycoprotein (P-gp, IC50 = 3.1-5.2 µM).Formal Name: 5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N-phenyl-4-(phenyl-d5)-1H-pyrrole-3-carboxamide. Molecular Formula: C33H28D5FN2O4. Formula Weight: 545.7. Purity: >99% deuterated forms (d1-d5). Formulation: (Request formulation change), A solid. Solubility: Acetonitrile: soluble, Methanol: soluble. SMILES: O=C(C1=C(C(C)C)N(CC[C@H](C[C@@H](O)C2)OC2=O)C(C3=CC=C(F)C=C3)=C1C4=C([2H])C([2H])=C([2H])C([2H])=C4[2H])NC5=CC=CC=C5. InChi Code: InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1/i3D,5D,6D,9D,10D. InChi Key: OUCSEDFVYPBLLF-CCJPLZOUSA-N.