tert-Butyl 2-((4R,6R)-6-(2-(2-(3-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Ref. TR-B809235

Product Information

• Name: tert-Butyl 2-((4R,6R)-6-(2-(2-(3-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Description

Applications tert-Butyl 2-((4R,6R)-6-(2-(2-(3-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate is an intermediate in the synthesis of 3-Fluoro Atorvastatin Sodium Salt (F587915). 3-Fluoro Atorvastatin Sodium Salt is an impurity of Atorvastatin (A791750, Ca Salt); a selective, competitive HMG-CoA reductase inhibitor and the only drug in its class specifically indicated for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia.
References Kearney, A.S., et al.: Pharm. Res., 10, 1461 (1993); Heinonen, T.M., et al.: Clin. Ther., 18, 853 (1996); Whitfield, L.R., et al.: Eur. J. Drug Metab. Pharmacokinet., 25, 97 (2000)

• Brand: TRC

Chemical properties

• Molecular weight: 654.81
• Formula: C₄₀H₄₇FN₂O₅
• Color/Form: Yellow Solid Foam
• InChI: InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-19-12-9-13-20-30)34(27-15-10-8-11-16-27)37(28-17-14-18-29(41)23-28)43(36)22-21-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-20,23,26,31-32H,21-22,24-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
• InChI key: InChIKey=FGGMGCOHIDYPFJ-ROJLCIKYSA-N
• SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2cccc(F)c2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1