2276-93-9

Basic information

• Product Name: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• Synonyms: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;Isoallolithocholic acid;5a-Cholanic Acid-3-ol-d2
• CAS NO: 2276-93-9
• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.5726
• Mol File: 2276-93-9.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 511°Cat760mmHg
• Flash Point: 276.9°C
• Appearance: /
• Density: 1.073g/cm³
• Vapor Pressure: 1.4E-12mmHg at 25°C
• Refractive Index: 1.528
• Storage Temp.: -20°C, Inert atmosphere
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid(2276-93-9)
• EPA Substance Registry System: (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid(2276-93-9)

Safety Data

• Hazardous Substances Data: 2276-93-9(Hazardous Substances Data)

Usage

Uses

Isoallolithocholic Acid is used as a steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders.

InChI:InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18-,19-,20-,21-,23-,24+/m0/s1

Upstream product

• 91509-44-3 4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-(2,2-Dimethyl-propionyloxy)-10,13-dimethyl-7,12-dioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid methyl ester 
• 81-25-4 3α,7α,12α-trihydroxy-5β-cholanic acid 
• 861-83-6 methyl chlolate 
• 106714-00-5 3β-hydroxy-5β.17βH.20ξH-cholen-(14)-oic acid-(24) 
• 64-19-7 acetic acid 
• 1452-33-1 methyl 3-oxo-4-cholenolate 
• 141-52-6 sodium ethanolate 
• 1553-56-6 dehydrolithocholic acid 
• 7647-01-0 hydrogenchloride 
• 434-13-9 Lithocholic acid 
• 1249-75-8 methyl lithocholate 
• 104538-82-1 C₃₂H₄₆O₄ 
• 81938-70-7 methyl O-mesyllithocholate 
• 1255-51-2 methyl 3β-acetyloxy-5β-cholan-24-oate 

Downstream Products

• 1249-75-8 3α-Hydroxy-5β-cholansaeure-methylester 
• 1553-56-6 dehydrolithocholic acid 
• 5405-42-5 methyl 3β-hydroxy-5β-cholan-24-oate 
• 434-13-9 Lithocholic acid 
• 1249-75-8 methyl 3β-hydroxy-5α-cholan-24-oate 
• 28083-35-4 5β.14β.17βH.20ξH-cholen-(3)-oic acid-(24) 
• 117899-79-3 3β-hydroxy-24-phenyl-5α-cholanone-(24) 
• 15074-03-0 (R)-methyl 4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate 
• 1249-75-8 methyl 3α-hydroxy-5α-cholan-24-oate 
• 84573-10-4 N-(methoxycarbonylmethyl)-3-oxo-5β-cholan-24-oic acid amide 
• 1249-75-8 4-((R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester 

Relevant articles and documents

Triplet energy management between two signaling units through cooperative rigid scaffolds

Through-bond triplet exciplex formation in donor-acceptor systems linked through a rigid bile acid scaffold has been demonstrated on the basis of kinetic evidence upon population of the triplet acceptors (naphthalene, or biphenyl) by through-bond triplet-

3-MODIFIED ISO-/ISOALLO-LITHOCHOLIC ACID DERIVATIVES OR THEIR HOMO-ANALOGS FOR PREVENTING AND TREATING CLOSTRIDIOIDES DIFFICILE-ASSOCIATED DISEASES

The present invention relates to isolithocholic acid (3β-hydroxy-5β-cholan-24-oic acid) and isoallolithocholic acid (3β-hydroxy-5α-cholan-24-oic acid) together with the respective 22-homo-analogs or the deuterated analogs, which are modified in 3-position

Steroid compound 3-site hydroxyl configuration inversion method

The invention discloses a steroid compound 3-site hydroxyl configuration inversion method. The method specifically comprises the following steps that (1) a steroid compound containing a 3-site hydroxyl reacts with an acyl chloride compound; (2) the product obtained in the step (1) and a substituting agent are subjected to SN2 nucleophilic substitution reaction under existing of a phase transfer catalyst; and (3) the product obtained in the step (2) is subjected to a hydrolysis reaction. Compared with a Mitsunobu method, the method does not need to use triphenylphosphine and azodiformate pricedhigher, and accordingly the production cost is greatly lowered; meanwhile, a p-nitrobenzoic acid derivative which seriously affects the water environment does not need to be used, and therefore the method is more environmentally friendly. The method adopts cesium acetate/18-crown ether-6 system to conduct 3-site hydroxyl configuration inversion, can remarkably reduce occurrence of side reactions,accordingly a higher reaction yield is obtained, and the method is finally applicable to industrialized production.