80875-94-1

Basic information

• Product Name: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid
• Synonyms: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid;1b-Hydroxycholic acid
• CAS NO: 80875-94-1
• Molecular Formula: C₂₄H₄₀O₆
• Molecular Weight: 424.57
• Mol File: 80875-94-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 621.3°C at 760 mmHg
• Flash Point: 343.5°C
• Appearance: /
• Density: 1.242g/cm³
• Vapor Pressure: 4.89E-18mmHg at 25°C
• Refractive Index: 1.574
• CAS DataBase Reference: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid(80875-94-1)
• EPA Substance Registry System: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid(80875-94-1)

Safety Data

• Hazardous Substances Data: 80875-94-1(Hazardous Substances Data)

Usage

Description

(1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid, also known as 4-cholesten-7-alpha,12-alpha-diol-3-alpha-ol-24-oic acid, is a steroidal acid belonging to the class of cholic acids. It is a primary bile acid synthesized in the liver from cholesterol and is an important component of human bile. Its chemical structure consists of a steroid backbone with four hydroxyl (OH) groups, located at the 1, 3, 7, and 12 positions, and a carboxylic acid group at the 24th carbon.
Used in Digestive Health Applications:
(1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid is used as a digestive aid for promoting the digestion and absorption of fats and fat-soluble vitamins in the small intestine.
Used in Liver and Gastrointestinal Disorder Treatments:
(1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid is used as a therapeutic agent for treating various liver and gastrointestinal disorders due to its potential beneficial effects on these conditions.

InChI:InChI=1/C24H40O6/c1-12(4-7-21(29)30)15-5-6-16-22-17(11-20(28)24(15,16)3)23(2)13(9-18(22)26)8-14(25)10-19(23)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14+,15-,16+,17+,18-,19-,20+,22+,23+,24-/m1/s1

Upstream product

• 90686-55-8 1β,3α,7α,12α-tetrahydroxy-5β-cholan-24-oic acid methyl ester 
• 104854-47-9 methyl 7α,12α-diacetoxy-1β,3α-dihydroxy-5β-cholan-24-oate 
• 14773-00-3 methyl (5β,7α)-12-hydroxy-3-oxo-cholan-24-oate 
• 4947-65-3 methyl 3-keto-7,12-diacetylcholate 
• 3057-04-3 chenodeoxycholic acid methyl ester 
• 99598-07-9 (R)-4-((5R,7R,8R,9S,10R,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester 
• 99598-15-9 (R)-4-((1R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-1,7,12-Trihydroxy-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester 
• 99598-23-9 2,4-dibromo-3-oxo-cholic acid methyl ester 
• 99598-11-5 (R)-4-((1S,2S,5R,7R,8S,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-3-oxo-hexadecahydro-20-oxa-cyclopropa[1,2]cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester 
• 104854-42-4 methyl 7α,12α-diacetoxy-3-oxo-5β-chol-1-en-24-oate 
• 104854-45-7 methyl 7α,12α-diacetoxy-1β-hydroxy-3-oxo-5β-cholan-24-oate 
• 104854-41-3 methyl 7α,12α-diacetoxy-4β-bromo-3-oxo-5β-chol-1-en-24-oate 
• 104839-69-2 methyl 7α,12α-diacetoxy-2β,4β-dibromo-3-oxo-5β-cholan-24-oate 
• 104839-73-8 methyl 7α,12α-diacetoxy-1β,2β-epoxy-3-oxo-5β-cholan-24-oate 

Downstream Products

• 6818-44-6 methyl 3,7,12-triacetoxycholan-24-oate 

Relevant articles and documents

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.

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