859-97-2

Basic information

• Product Name: 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID
• Synonyms: 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID;3,7-DIKETOCHOLANIC ACID;5BETA-CHOLANIC ACID-3,7-DIONE;5B-cholanic acid 3,7-dione;3,7-diketo-5β-cholan-24-oic acid;5β-cholanic acid-3,7-dione;3,7-DIOXO-5-BETA-CHOLANOICACID;3,7-Diketo-5β-cholanic acid
• CAS NO: 859-97-2
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.54
• Mol File: 859-97-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 152 °C
• Boiling Point: 544.7°C at 760 mmHg
• Flash Point: 297.3°C
• Appearance: /
• Density: 1.12g/cm³
• Vapor Pressure: 2.64E-13mmHg at 25°C
• Refractive Index: 1.527
• PKA: 4.76±0.10(Predicted)
• CAS DataBase Reference: 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID(859-97-2)
• EPA Substance Registry System: 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID(859-97-2)

Safety Data

• Hazardous Substances Data: 859-97-2(Hazardous Substances Data)

Usage

General Description

3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID, also known as 3,7-diketo-lithocholic acid, is a bile acid derivative that plays a vital role in the digestion and absorption of fats in the small intestine. It is formed through the oxidation of cholic acid, and it acts as a signaling molecule in various metabolic pathways, including the regulation of cholesterol and glucose metabolism. This chemical has been studied for its potential therapeutic properties, including its role in regulating lipid metabolism and its potential as a treatment for liver and metabolic diseases. Additionally, 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID has been investigated for its potential as a biomarker for various diseases, such as liver and metabolic disorders.

InChI:InChI=1/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,22+,23+,24-/m1/s1

Upstream product

• 474-25-9 chenodeoxycholic acid 
• 2646-38-0 sodium chenodeoxycholate 

Downstream Products

• 915038-24-3 (E/Z)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid 
• 10538-59-7 7-ketolithocholic methyl ester 
• 28083-34-3 7α-hydroxy-5β-cholanoic acid 
• 5056-07-5 (S)-methyl p-tolyl sulfoxide 
• 474-25-9 chenodeoxycholic acid 
• 4651-67-6 7-Ketolithocholic acid 
• 25312-65-6 cholanic acid 
• 128-13-2 ursodeoxycholic acid 
• 5795-90-4 5β-cholanoic acid-(24)-ethyl ester 
• 434-13-9 Lithocholic acid 

Relevant articles and documents

Preparation method of ursodeoxycholic acid

The invention discloses a preparation method of ursodesoxycholic acid, which comprises the following steps:using chenodeoxycholic acid as a raw material, oxidizing with sodium hypochlorite to obtain an intermediate 3alpha-hydroxy-7beta-carbonyl-5 beta-cholanic acid, carrying out hydrogenation reduction hydrogenation by using Raney nickel as a catalyst to obtain an ursodesoxycholic acid crude product, and carrying out triethylamine salifying refining to obtain the ursodesodesoxycholic acid bulk drug. The preparation method of ursodesoxycholic acid is stable and reliable in raw material source,high in reaction selectivity, easy in finished product refining, high in quality and short in process route; the method has the advantages of short synthesis steps, mild reaction conditions and cleanprocess, and is suitable for industrial production.

Regioselective microbial oxidation of bile acids

High regioselectivity in the microbial oxidation of C7, C3 and C12 hydroxyl groups of cholic, chenodeoxycholic, deoxycholic and hyocholic acids 1-4 is reported. The tested microrganisms have been isolated from 50 environmental samples withdrawed from an industry that extracts and purify bile acids.