6818-44-6

Basic information

• Product Name: 3α,7α,12α-Triacetoxy-5β-cholan-24-oic acid methyl ester
• Synonyms: Methyl (3α,5β,7α,8ξ,12α)-3,7,12-triacetoxycholan-24-oate
• CAS NO: 6818-44-6
• Molecular Formula: C31H48O8
• Molecular Weight: 548.70802
• Mol File: 6818-44-6.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 572.224°C at 760 mmHg
• Flash Point: 236.307°C
• Appearance: /
• Density: 1.149g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.518
• CAS DataBase Reference: 3α,7α,12α-Triacetoxy-5β-cholan-24-oic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3α,7α,12α-Triacetoxy-5β-cholan-24-oic acid methyl ester(6818-44-6)
• EPA Substance Registry System: 3α,7α,12α-Triacetoxy-5β-cholan-24-oic acid methyl ester(6818-44-6)

Safety Data

• Hazardous Substances Data: 6818-44-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3/t17-,21+,22-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1

Upstream product

• 10180-69-5 17α,20,20,21-BMD-3,3-ethylendioxy-5-pregnen-11β-ol 
• 807-05-6 17α.20;20.21-Bis-methylendioxy-pregnen-(4)-ol-(11β)-on-(3); 'Bismethylendioxy-hydrocortison' 
• 50-23-7 cortisol 
• 81-25-4 cholic acid 
• 3749-87-9 methyl 3α,7α-diacetoxy-12α-hydroxy cholanate 
• 108-24-7 acetic anhydride 
• 1448-36-8 methyl cholate 
• 14943-00-1 3α,7α,12α-tris-nitryloxy-5β-cholan-24-oic acid methyl ester 
• 124-41-4 sodium methylate 

Downstream Products

• 125627-00-1 3α-(p-aminomethyl)phenyl-7α,12α-diacetoxycholan-24-oic acid 
• 125626-98-4 methyl 7α,12α-diacetoxy-3α-cholan-24-oate 
• 125627-01-2 pentafluorophenyl 7α,12α-diacetoxy-3α-(p-tert-butoxycarbonylaminomethylphenyl)cholan-24-oate 
• 566-17-6 3-deoxycholic acid 
• 149947-63-7 (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Diacetoxy-3-dicyanomethyl-3-(4-methanesulfonyloxymethyl-phenyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid methyl ester 
• 134699-59-5 methyl 7α,12α-diacetoxy-3α-(p-azidomethylphenyl)-3β-dicyanomethylcholan-24-oate 
• 134699-57-3 (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Diacetoxy-3-(4-tert-butoxymethyl-phenyl)-3-dicyanomethyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid methyl ester 
• 134699-58-4 methyl 7α,12α-diacetoxy-3β-dicyanomethyl-3α-(p-hydroxymethylphenyl)-cholan-24-oate 
• 1062103-70-1 (R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Diacetoxy-3-(4-aminomethyl-phenyl)-3-dicyanomethyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid 
• 153204-96-7 7α,12α-diacetoxy-3α-(p-tert-butoxycarbonylaminomethylphenyl)cholan-24-oic acid 
• 153204-95-6 methyl 3α-(p-aminomethyl)phenyl-7α,12α-diacetoxycholan-24-oate 
• 300386-87-2 3-oxo-7α,12α-diacetoxy-5β-cholan-24-oic acid 

Relevant articles and documents

Modified bile acids: Preparation of 7α,12α-dihydroxy-3β- and 7α,12α-dihydroxy-3α-(2-hydroxyethoxy)-5β-cholanic acid and their biological activity

Methodology for the preparation of 7α-12α-dihydroxy-3β- (2) and 7α,12α-dihydroxy-3α-(2-hydroxyethoxy)-5β-cholanic acid (3) is described. Nucleophilic displacement of the 3-mesylate of unprotected cholic acid with ethylene glycol led to the 3β-isomer whereas the 3α-isomer was synthesized via the 7,12-diacetyl protected 3-allyl ether of methyl cholate. Only the 3α-isomer 3 is recognized by the ileal bile acid transport system with affinity comparable to cholic acid.

ROR gamma modulators

The present invention relates to compounds of formula I, or a pharmaceutically acceptable salt thereof, for use in the treatment or prevention, suppression or amelioration of a disease mediated by the ROR gamma receptor in a subject in need thereof, in particular diabetes and diabetes-related disorders, specifically type II diabetes, methods of their production, as well as methods of treatment or prevention of such diseases.

ROR GAMMA MODULATORS

The present invention relates to compounds of formula I, or a pharmaceutically acceptable salt thereof, for use in the treatment or prevention, suppression or amelioration of a disease mediated by the ROR gamma receptor in a subject in need thereof, in particular diabetes and diabetes- related disorders, specifically type II diabetes, methods of their production, as well as methods of treatment or prevention of such diseases.