462122-38-9

Basic information

• Product Name: (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester (BTC-C1)
• Synonyms: (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester (BTC-C1);OCA-J;(3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester;3α-hydroxy-6α-ethyl-7-keto-5β-cholanic acid methyl ester
• CAS NO: 462122-38-9
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• EINECS: -0
• Mol File: 462122-38-9.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 524.5±25.0 °C(Predicted)
• Appearance: /
• Density: 1.054±0.06 g/cm3(Predicted)
• PKA: 15.03±0.70(Predicted)
• CAS DataBase Reference: (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester (BTC-C1)(CAS DataBase Reference)
• NIST Chemistry Reference: (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester (BTC-C1)(462122-38-9)
• EPA Substance Registry System: (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester (BTC-C1)(462122-38-9)

Safety Data

• Hazardous Substances Data: 462122-38-9(Hazardous Substances Data)

Usage

General Description

"(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic acid methyl ester (BTC-C1)" is a chemical substance that appears to be a derivative of a type of bile acid. Its complex name indicates its specific chemical structure, which includes an ethyl group, a hydroxy group, a keto group, a cholan-24-oic acid component, and a methyl ester. The details of its biochemical function, specific properties, and potential applications are not provided in the name alone. As with any chemical compound, its toxicity, reactivity, and other characteristics would be determined by empirical study. Further information would be required to give a more specific characterization.

Upstream product

• 863239-59-2 3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-carboxylic acid methyl ester 

Downstream Products

• 1632118-70-7 6β-ethyl-3α,7β-dihydroxy-5β-cholan-24-ol 
• 1632118-70-7 6β-ethyl-3α,7α-dihydroxy-5β-cholan-24-ol 
• 1537866-42-4 6α-ethyl-3α-formyloxy-7-keto-5β-cholan-24-oic acid 

Relevant articles and documents

Synthesis method of obeticholic acid and intermediate

The invention discloses a synthesis method of obeticholic acid and an intermediate. The method specifically comprises seven steps: an oxidation reaction, an esterification reaction, a protection reaction, an Aldol reaction, hydrogenation reduction, hydrolysis and a carbonyl reduction reaction with raw materials including chenodeoxycholic acid, NBS, concentrated sulfuric acid, methanol, sodium iodide, trimethyl silicon chloride, trimethylamine, acetaldehyde, boron trifluoride diethyl etherate, palladium on carbon, hydrogen, NaOH and NaBH4. The synthesis method of obeticholic acid and the intermediate is high in yield, low in cost, environmentally friendly, easy to operate and suitable for industrialization.

Sulfonylurea derivative and pharmaceutical composition and application thereof

The invention relates to a preparation method and application of a sulfonylurea compound and a composition containing the same component as FXR and / or TGR5 agonist, the FXR and / or TGR5 agonist is a compound shown as a formula (I), or a pharmaceutically acceptable salt, a solvate, a prodrug, an isomer and a stable isotope derivative thereof. The compounds can be used for treatment of FXR and / or TGR5 mediated diseases including primary biliary cirrhosis, nonalcoholic fatty liver, portal hypertension, bile acid diarrhea and cholestasis, type II diabetes and obesity and other field.

Novel application of 7-keto-6[beta]-alkyl cholanic acid derivative in preparation of obeticholic acid and in field of medicine

The invention provides a preparation method of a 7-keto-6[alpha]-alkyl cholanic acid derivative. According to the preparation method provided by the invention, a 7-keto-6[beta]-alkyl cholanic acid derivative, as shown by a formula II, is used as a raw material, and the 7-keto-6[alpha]-alkyl cholanic acid derivative is prepared by converting a 6[beta] configuration into a 6[alpha] configuration under an acid or alkali condition. The invention also provides a 7-keto-6[beta]-alkyl cholanic acid derivative and an application thereof in preparation of 3[alpha],7[alpha]-dihydroxy-6[alpha]-alkyl-5[beta]-cholanic acid. The preparation method provided by the invention is simple and convenient, and is high in configuration conversion rate, and the product, the 7-keto-6[alpha]-alkyl cholanic acid derivative, is easy to purify, so that the purification difficulty for preparing the 3[alpha],7[alpha]-dihydroxy-6[alpha]-alkyl-5[beta]-cholanic acid is reduced.