151106-12-6

Basic information

• Product Name: 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester
• Synonyms: 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester
• CAS NO: 151106-12-6
• Molecular Formula: C27H28 Br F2 N O4
• Molecular Weight: 548.42
• Mol File: 151106-12-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 581.1°Cat760mmHg
• Flash Point: 305.2°C
• Appearance: /
• Density: 1.35g/cm³
• Vapor Pressure: 2.41E-14mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester(151106-12-6)
• EPA Substance Registry System: 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester(151106-12-6)

Safety Data

• Hazardous Substances Data: 151106-12-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C27H28BrF2NO4/c1-16(2)26-25(28)24(17-4-8-19(29)9-5-17)27(18-6-10-20(30)11-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35-3/h4-13,16,21-22,32-33H,14-15H2,1-3H3/b13-12+/t21-,22-/m0/s1

Upstream product

• 105-45-3 acetoacetic acid methyl ester 
• 151106-02-4 (E)-7-[3-Bromo-4,5-bis-(4-fluoro-phenyl)-2-isopropyl-pyrrol-1-yl]-5-hydroxy-3-oxo-hept-6-enoic acid methyl ester 

Relevant articles and documents

Inhibitors of cholesterol biosynthesis. 2. 3,5-dihydroxy-7-(N-pyrrolyl)- 6-heptenoates, a novel series of HMG-CoA reductase inhibitors

A series of 7-[2,3-diaryl-5-(1-methylethyl)-1H-pyrrol-1-yl]-3,5-dihydroxy- 6-heptenoates was prepared and evaluated for its ability to inhibit the enzyme HMG-CoA reductase in vitro. Maintaining a 5-(1-methylethyl) substituent found to be optimal in related studies, structure-activity relationships were established for compounds modified at positions 2, 3, and 4 of the pyrrole ring. The 4-fluorophenyl group was preferred at the pyrrole 2-position, while incorporation of a range of substituted phenyl groups and pyridyl substituents at the 3-position provided compounds with equivalent enzyme inhibitory activities and widely different lipophilicities. Pentasubstituted pyrrole 3h was found to have a 10-fold greater potency than lovastatin.