CAS 134395-00-9

Atorvastatin tert-Butyl Ester

Description:

Atorvastatin tert-Butyl Ester, with the CAS number 134395-00-9, is a chemical compound that serves as an intermediate in the synthesis of atorvastatin, a widely used medication for lowering cholesterol levels. This compound is characterized by its ester functional group, which contributes to its reactivity and solubility properties. Typically, atorvastatin tert-butyl ester is a white to off-white solid, and it is soluble in organic solvents such as methanol and ethanol, but less soluble in water. The tert-butyl group enhances the lipophilicity of the molecule, which can influence its pharmacokinetic properties. In terms of stability, the compound is generally stable under standard laboratory conditions but may be sensitive to hydrolysis in the presence of moisture. As an intermediate, it is crucial in the pharmaceutical industry for the production of atorvastatin, which functions as an HMG-CoA reductase inhibitor, effectively reducing cholesterol synthesis in the liver. Proper handling and storage conditions are essential to maintain its integrity and efficacy during synthesis and formulation processes.

Formula: C₃₇H₄₃FN₂O₅

InChI: InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/t29-,30-/m1/s1

InChI key: InChIKey=GCPKKGVOCBYRML-LOYHVIPDSA-N

SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4

Synonyms:

• (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid tert-butyl ester
• (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dihydroxy-4-acetate
• (R,dR)-2-(4-Fluorophenyl)-,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 1,1-Dimethylethyl Ester
• 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, (βR,δR)-
• 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
• L-2
• L2
• Atorvastatin Impurity 21
• (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-Methylethyl)-3-phenyl-4-[(phenylaMino)carbonyl]-1H-pyrrole-1-heptanoic Acid 1,1-DiMethylethyl Ester
• (R,dR)-2-(4-Fluorophenyl)-,d-dihydroxy-5-(1-Methylethyl)-3-phenyl-4-[(phenylaMino)carbonyl]-1H-pyrrole
• Atorvastatin tert-Butyl Ester
• (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)
• Atorvastatin 1
• 7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic Acid tert-Butyl Ester
• (3R,5R)
• -tert-Butyl 7-(2-(4-fluorophenyl)
• (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-
• (4R-cis)-1,1-diMethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylaMino)carbonyl]-1H-pyrro-1-yl]ethyl]-2,2-diMethyl-1,3-dihydroxy-4-acetate
• (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbaMoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Atorvastatin tert-Butyl Ester (tert-butyl (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate)

CAS: 134395-00-9

Heterocyclic compounds with nitrogen hetero-atom(s) only, aromatic or modified aromatic, nesoi

Formula: C₃₇H₄₃FN₂O₅

Color and Shape: White Off-White Solid

Molecular weight: 614.3156

Ref: 45-1A00830

(3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

CAS: 134395-00-9

Formula: C₃₇H₄₃FN₂O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 614.7461

Ref: IN-DA007MB0

Atorvastatin EP Impurity N (Atorvastatin tert-Butyl Ester)

CAS: 134395-00-9

Formula: C₃₇H₄₃FN₂O₅

Color and Shape: White To Off-White Solid

Molecular weight: 614.76

Ref: 4Z-A-1216

Atorvastatin tert-Butyl Ester

CAS: 134395-00-9

Color and Shape: Neat

Ref: 86-MM0400.35

(bR,deltaR)-Atorvastatin tert-Butyl Ester (>90%)

Controlled Product

CAS: 134395-00-9

Applications An impurity arising in the synthesis of Atorvastatin. Atorvastatin Tert Butyl Ester

Formula: C₃₇H₄₃FN₂O₅

Purity: >90%

Color and Shape: Neat

Molecular weight: 614.75

Ref: TR-A791740

Atorvastatin EP Impurity N

CAS: 134395-00-9

Formula: C₃₇H₄₃FN₂O₅

Molecular weight: 614.75

Ref: ST-EA-CP-A32014

Atorvastatin-d5 tert-Butyl Ester

Controlled Product

CAS: 134395-00-9

Applications Atorvastatin-d5 tert-Butyl Ester is the labeled analogue of Atorvastatin tert-Butyl Ester (A791740), an impurity arising in the synthesis of Atorvastatin (A791750), a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides 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)

Formula: C₃₇H₃₈D₅FN₂O₅

Color and Shape: Neat

Molecular weight: 619.78

Ref: TR-A791742

Atorvastatin tert-butyl ester

CAS: 134395-00-9

Atorvastatin tert-butyl ester is an acid that is used to treat high cholesterol. It is a synthetic statin that inhibits the enzyme HMG-CoA reductase and blocks the production of cholesterol in the liver. This drug is administered orally, as a tablet or capsule, or in liquid form as a suspension. The drug has a bitter taste and evaporation may occur if it comes into contact with skin or clothes. Atorvastatin tert-butyl ester may be found in polymorphic forms (including dihydropyridine, dihydrospirocyclopentane, and dihydrobenzoquinoline). These forms are inactive, but can be activated by exposure to light or heat. These reactions produce an acidic compound that can react with other compounds to form new compounds.

Formula: C₃₇H₄₃FN₂O₅

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 614.75 g/mol

Ref: 3D-IA18024