93001-12-8

Basic information

• Product Name: 3,7-dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide
• Synonyms: 3,7-dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide
• CAS NO: 93001-12-8
• Molecular Formula: C27H45NO6S
• Molecular Weight: 511.7143
• Mol File: 93001-12-8.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.264g/cm³
• Refractive Index: 1.575
• CAS DataBase Reference: 3,7-dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide(93001-12-8)
• EPA Substance Registry System: 3,7-dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide(93001-12-8)

Safety Data

• Hazardous Substances Data: 93001-12-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C27H45NO6S/c1-15(18-14-19(18)25(31)28-10-11-35(32,33)34)20-4-5-21-24-22(7-9-27(20,21)3)26(2)8-6-17(29)12-16(26)13-23(24)30/h15-24,29-30H,4-14H2,1-3H3,(H,28,31)(H,32,33,34)/t15?,16-,17+,18?,19?,20+,21-,22-,23-,24-,26-,27+/m0/s1

Upstream product

• 107-35-7 Tau 
• 93060-76-5 3α,7β-dihydroxy-22,23-methylene-5β-cholan-24-oic acid 

Relevant articles and documents

Bile Acids with Cyclopropane-Containing Side Chain. 2. Synthesis and Properties of 3α,7β-Dihydroxy-22,23-methylene-5β-cholan-24-oic Acid (2-Sulfoethyl)amide

The preparation of 3α,7β-dihydroxy-22,23-methylene-5β-cholan-24-oic acid (2-sulfoethyl)amide (5) by the one-step EEDQ-induced conjugation between ursodeoxycholic acid "cyclopropylog" (4) and taurine is described.The presence of a cyclopropyl ring adjacent to the amide bond is shown to make it resistant to degradation by intestinal bacteria.This new cyclopropylog is neither deconjugated at the C-24 amide bond nor 7-dehydroxylated when incubated with human stools in anaerobic conditions.