214217-86-4

Basic information

• Product Name: ORTHO-HYDROXY ATORVASTATIN
• Synonyms: ORTHO-HYDROXY ATORVASTATIN;(R,dR)-2-(4-fluorophenyl)-,d-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrole-1-heptanoic Acid Dihydrate Monosodium Salt;BMS 243887-01;PD 152873;(R,dR)-2-(4-fluorophenyl)-,d-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrole-1-heptanoic Acid Disodium Salt;o-Hydroxyatorvastatin Disodium Salt;2-Hydroxy Atorvastatin Dihydrate Monosodium Salt;(betaR,deltaR)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrole-1-heptanoic acid
• CAS NO: 214217-86-4
• Molecular Formula: C₃₃H₃₅FN₂O₆
• Molecular Weight: 632.657
• Product Categories: Metabolites;Isotope Labeled Compounds;Aromatics;Chiral Reagents;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 214217-86-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 132-134°C
• Boiling Point: 741.9±60.0 °C(Predicted)
• Appearance: /
• Density: 1.27
• Storage Temp.: -20°C Freezer
• Solubility: Methanol (Slightly)
• PKA: 4.29±0.10(Predicted)
• CAS DataBase Reference: ORTHO-HYDROXY ATORVASTATIN(CAS DataBase Reference)
• NIST Chemistry Reference: ORTHO-HYDROXY ATORVASTATIN(214217-86-4)
• EPA Substance Registry System: ORTHO-HYDROXY ATORVASTATIN(214217-86-4)

Safety Data

• Hazardous Substances Data: 214217-86-4(Hazardous Substances Data)

Usage

Description

ORTHO-HYDROXY ATORVASTATIN is a deuterated metabolite of Atorvastin, which is a selective and competitive HMG-CoA reductase inhibitor. It is a light yellow solid and is specifically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.

Uses

Used in Pharmaceutical Industry:
ORTHO-HYDROXY ATORVASTATIN is used as a cholesterol-lowering agent for the treatment of hypercholesterolemia. It functions by inhibiting the enzyme HMG-CoA reductase, which is responsible for the production of cholesterol in the liver. This inhibition leads to a reduction in the levels of low-density lipoprotein (LDL) cholesterol and triglycerides in the blood, thereby helping to manage and prevent cardiovascular diseases.
Additionally, ORTHO-HYDROXY ATORVASTATIN may be used in research and development for the study of its chemical properties and potential applications in other areas of medicine, given its unique structure and function as a metabolite of Atorvastin.

Upstream product

• 134523-00-5 atorvastatin 
• 265989-39-7 (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(4-benzyloxyphenyl)carbonyl]-1H-pyrrol-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate 
• 265989-40-0 ((4R,6R)-6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester 
• 887355-33-1 4-methyl-3-oxo-N-(2-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentanamide 
• 163217-77-4 4-Methyl-3-oxo-2-[1-phenyl-meth-(Z)-ylidene]-pentanoic acid (2-benzyloxy-phenyl)-amide 
• 265989-31-9 N-(2-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide 
• 4560-41-2 2-benzyloxynitrobenzene 
• 20012-63-9 o-(benzyloxy)aniline 
• 1346599-89-0 (3R,5R)-7-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid tert-butyl ester 

Downstream Products

• 163217-74-1 o-Hydroxyatorvastatin lactone 

Relevant articles and documents

EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS

Methods and compositions for the catalytic oxidation of pharmaceutically active compounds, and more particularly to ex vivo methods for predicting in vivo metabolism of pharmaceutically active compounds, including predicting in vivo interaction between two or more pharmaceutically active compounds.

NOVEL METHOD FOR PREPARING METABOLITES OF ATORVASTATIN USING BACTERIAL CYTOCHROME P450 AND COMPOSITION THEREFOR

Provided is a novel method for preparing metabolites of atorvastatin using bacterial cytochrome P450, and a composition therefor, and more particularly, a composition for preparing 2-hydroxylated product of 4-hydroxylated product from atorvastatin including bacterial cytochrome P 450 BM3 (CYP102A1), CYP102A1 mutants, and chimeras derived from the CYP102A1 mutants, a kit therefor, and a method for preparing thereof.