163217-66-1

Basic information

• Product Name: N-4-Benzyloxyphenyl α-Benzilidene Isobutyrylacetamide
• Synonyms: N-4-Benzyloxyphenyl α-Benzilidene Isobutyrylacetamide;2-Benzylidene-4-Methyl-3-oxopentanoic Acid N-(4-Benzyloxyphenyl)aMide;4-Methyl-3-oxo-N-[4-(phenylMethoxy)phenyl]-2-(phenylMethylene)pentanaMide
• CAS NO: 163217-66-1
• Molecular Formula: C₂₆H₂₅NO₃
• Molecular Weight: 399.4816
• Product Categories: Various Intermediates;Intermediates
• Mol File: 163217-66-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 630.251°C at 760 mmHg
• Flash Point: 334.964°C
• Appearance: /
• Density: 1.177g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.631
• Solubility: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
• PKA: 11?+-.0.70(Predicted)
• CAS DataBase Reference: N-4-Benzyloxyphenyl α-Benzilidene Isobutyrylacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-4-Benzyloxyphenyl α-Benzilidene Isobutyrylacetamide(163217-66-1)
• EPA Substance Registry System: N-4-Benzyloxyphenyl α-Benzilidene Isobutyrylacetamide(163217-66-1)

Safety Data

• Hazardous Substances Data: 163217-66-1(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

A intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.

InChI:InChI=1/C26H25NO3/c1-19(2)25(28)24(17-20-9-5-3-6-10-20)26(29)27-22-13-15-23(16-14-22)30-18-21-11-7-4-8-12-21/h3-17,19H,18H2,1-2H3,(H,27,29)/b24-17-

Upstream product

• 100-52-7 benzaldehyde 
• 265989-30-8 N-(4-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide 
• 42558-54-3 Methyl 4-methyl-3-oxopentanoate 
• 563-80-4 3-methyl-butan-2-one 

Downstream Products

• 163217-68-3 tert-butyl 2-((4R,6R)-6-(2-(3-((4-(benzyloxy)phenyl)carbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 
• 163217-70-7 p-Hydroxyatorvastatin lactone 
• 214217-88-6 p-Hydroxyatorvastatin 
• 163217-67-2 N-(4-(benzyloxy)phenyl)-2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanamide 

Relevant articles and documents

Atorvastatin Derived HMG-CoA Reductase Degradation Inducing Compound

The present invention relates to a HMG-CoA reductase degradation-inducing compound and, more specifically, to a bifunctional compound in which atorvastatin and E3 ubiquitin ligase binding moiety are chemically linked as HMG-CoA reductase binding moiety, to a production method thereof, to a HMG-CoA reductase degradation method using the same, and to a pharmaceutical composition for preventing or treating HMG-CoA reductase-related diseases, comprising the same.

Synthesis of deuterium-labeled atorvastatin and its metabolites for use as internal standards in a LC/MS/MS method developed for quantitation of the drug and its metabolites in human serum

D5-labeled isotopomers of atorvastatin, atorvastatin lactone and its hydroxy metabolites were synthesized as internal standards for use in a LC/MS/MS method developed for the simultaneous quantitative determination of atorvastatin and its hydroxy metabolites in human serum. d5-Atorvastatin and d5-atorvastatin lactone were prepared from d5-aniline whereas their corresponding hydroxy metabolites were synthesized using d5-benzaldehyde.