3749-87-9

Basic information

• Product Name: methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate
• Synonyms: methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate;3α,7α-Bis(acetyloxy)-12α-hydroxy-5β-cholan-24-oic acid methyl ester;3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester;Einecs 223-151-6
• CAS NO: 3749-87-9
• Molecular Formula: C₂₉H₄₆O₇
• Molecular Weight: 506.67134
• EINECS: 223-151-6
• Mol File: 3749-87-9.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 561°Cat760mmHg
• Flash Point: 171.6°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 6.34E-15mmHg at 25°C
• Refractive Index: 1.526
• Water Solubility: 5.35mg/L at 25℃
• CAS DataBase Reference: methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate(3749-87-9)
• EPA Substance Registry System: methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate(3749-87-9)

Safety Data

• Hazardous Substances Data: 3749-87-9(Hazardous Substances Data)

Usage

Uses

Methyl 3,7-Di-O-acetylcholate is an intermediate in the synthesis of 12β-Hydroxyisocholic Acid (H943480), a bile acid.

InChI:InChI=1/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3

Upstream product

• 81-25-4 cholic acid 
• 1448-36-8 methyl cholate 
• 108-24-7 acetic anhydride 
• 28535-81-1 methyl 3α,7α-diacetoxy-12-one-5β-cholest-24-carboxylate 
• 64-19-7 acetic acid 
• 75-36-5 acetyl chloride 
• 186581-53-3 diazomethane 
• 7432-64-6 cholic acid 3,7-diacetate 

Downstream Products

• 28192-93-0 methyl 3α-p-toluenesulfonyl-7α-hydroxy-5β-cholest-24-carboxylate 
• 128-13-2 ursodeoxycholic acid 
• 10538-55-3 3α,7β-dihydroxy-5β-cholan-24-oic acid methyl ester 
• 4651-67-6 7-Ketolithocholic acid 
• 1239891-51-0 C₃₆H₅₃NO₇ 
• 1239891-49-6 methyl 3α-(4,5-dihydro-1H-imidazol-2-yl)-7α-acetoxy-12α[4-(N,N-dimethylamino)benzoyloxy]-5β-cholan-24-oate hydrochloride 
• 1239891-55-4 C₃₉H₅₈N₄O₆ 
• 1239891-54-3 C₃₆H₅₄N₂O₆ 
• 1239891-53-2 methyl 3α-azido-7α-acetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate 
• 1239891-52-1 C₃₇H₅₅NO₉S 
• 1239891-50-9 methyl 3α,7α-diacetoxy-12α-[4-(N,N-dimethylamino)-benzoyloxy]-5β-cholan-24-oate 
• 71837-87-1 methyl 3α-hydroxy-7α-acetoxy-12-oxocholanate 
• 2458-08-4 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid 
• 474-25-9 chenodeoxycholic acid 

Relevant articles and documents

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Chenodeoxycholic acid derivative or pharmaceutically acceptable salt thereof, and preparation method and applications thereof

The invention discloses a chenodeoxycholic acid derivative with a structure as shown in general formula I or a medicinal salt thereof, and a preparation method and application of the chenodeoxycholicacid derivative. The chenodeoxycholic acid derivative can up-regulate the transcription levels of FXR mRNA and SHP mRNA, can obviously activate FXR, and can be used for preparing drugs for treating orpreventing hyperlipidemia, atherosclerosis, non-alcoholic steatohepatitis, type II diabetes mellitus and other diseases related to blood fat.

Chenodeoxycholic acid derivatives, preparation method thereof and medical application thereof

The invention relates to the field of medicinal chemistry, relates to chenodeoxycholic acid derivatives, a preparation method thereof and a medical application thereof, in particular to a kind of chenodeoxycholic acid derivatives with a general formula of (I), a preparation method thereof, a pharmaceutical composition comprising the compounds and medical application thereof, especially used as drugs for preventing or treating hyperlipidaemia, type II diabetes, atherosis and non-alcoholic steatohepatitis. The formula is shown in the description.