265989-36-4

Basic information

• Product Name: tert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate
• Synonyms: (4R,6R)-6-[2-[2-(4-Fluorophenyl)-4-[[(4-hydroxyphenyl)aMino]carbonyl]-5-(1-Methylethyl)-3-phenyl-1H-pyrrol-1-yl]ethyl]-2,2-diMethyl-1,3-dioxane-4-acetic Acid 1,1-DiMethylethyl Ester;4-Hydroxy Atorvastatin Acetonide tert-Butyl Ester;tert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate;ert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate;(4R,6R)-6-[2-[2-(4-Fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester
• CAS NO: 265989-36-4
• Molecular Formula: C₄₀H₄₇FN₂O₆
• Molecular Weight: 670.8093832
• Product Categories: Intermediates
• Mol File: 265989-36-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 707.815°C at 760 mmHg
• Flash Point: 381.873°C
• Appearance: /
• Density: 1.18
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.576
• Solubility: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
• PKA: 10.00±0.26(Predicted)
• CAS DataBase Reference: tert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate(265989-36-4)
• EPA Substance Registry System: tert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate(265989-36-4)

Safety Data

• Hazardous Substances Data: 265989-36-4(Hazardous Substances Data)

Usage

Description

Tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-4-(4-hydroxyphenylcarbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate is a complex organic compound with a unique molecular structure. It is characterized by its white solid appearance and serves as an intermediate in the synthesis of metabolites for Atorvastin, a drug used in the treatment of hypercholesterolemia.

Uses

1. Pharmaceutical Industry:
Tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-4-(4-hydroxyphenylcarbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate is used as an intermediate in the synthesis of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. This drug is specifically indicated for lowering elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
2. Research and Development:
In the field of research and development, this compound may be utilized for further exploration of its chemical properties, potential applications, and possible modifications to enhance its therapeutic effects or develop new drugs based on its structure.
Chemical Properties:
Tert-butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-4-(4-hydroxyphenylcarbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate is a white solid, which indicates its stability and potential for use in various pharmaceutical formulations.

InChI:InChI=1/C40H47FN2O6/c1-25(2)36-35(38(46)42-29-17-19-30(44)20-18-29)34(26-11-9-8-10-12-26)37(27-13-15-28(41)16-14-27)43(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32,44H,21-24H2,1-7H3,(H,42,46)/t31-,32-/m1/s1

Upstream product

• 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 
• 6373-46-2 p-benzyloxyaniline 
• 265989-30-8 N-(4-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide 
• 163217-67-2 N-(4-(benzyloxy)phenyl)-2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanamide 
• 42558-54-3 Methyl 4-methyl-3-oxopentanoate 

Downstream Products

• 214217-88-6 p-Hydroxyatorvastatin 
• 163217-70-7 p-Hydroxyatorvastatin lactone 
• 918867-48-8 C₄₆H₅₇FN₂O₈ 

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.