Obeticholic acid I, also known as 6-epi-Obeticholic Acid, is a derivative of Lithocholic Acid (L469180) and acts as a TGR5 modulator. It is obtained from Nutriacholic Acid Methyl Ester (N925555), which is the methyl ester of Nutriacholic Acid (N925550). Obeticholic acid I is an impurity in the synthesis of Obeticholic Acid (E899810), a drug used for the treatment of primary biliary cirrhosis and other liver diseases.
915038-27-6
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Basic information
- Product Name: (R)-4-((3R,5S,6S,7R,10S,13R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- Synonyms: (R)-4-((3R,5S,6S,7R,10S,13R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid;Obeticholic Impurity 2;6-epi-Obeticholic Acid
- CAS NO:915038-27-6
- Molecular Formula: C26H44O4
- Molecular Weight: 420.62516
- EINECS: -0
- Product Categories: N/A
- Mol File: 915038-27-6.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 562.9±25.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.091±0.06 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 4.76±0.10(Predicted)
- CAS DataBase Reference: (R)-4-((3R,5S,6S,7R,10S,13R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid(CAS DataBase Reference)
- NIST Chemistry Reference: (R)-4-((3R,5S,6S,7R,10S,13R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid(915038-27-6)
- EPA Substance Registry System: (R)-4-((3R,5S,6S,7R,10S,13R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid(915038-27-6)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 915038-27-6(Hazardous Substances Data)
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915038-27-6 Usage
Uses
Used in Pharmaceutical Industry:Obeticholic acid I is used as a TGR5 modulator for its potential therapeutic effects on liver diseases. As a derivative of Lithocholic Acid, it may have similar properties and contribute to the development of new treatments for liver conditions.
Used in Research and Development:
Obeticholic acid I serves as an impurity in the synthesis of Obeticholic Acid, making it valuable for research and development purposes. It can be used to study the synthesis process, optimize the production of Obeticholic Acid, and investigate the potential effects and applications of Obeticholic acid I in various liver diseases.
Check Digit Verification of cas no
The CAS Registry Mumber 915038-27-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,5,0,3 and 8 respectively; the second part has 2 digits, 2 and 7 respectively.Calculate Digit Verification of CAS Registry Number 915038-27:
(8*9)+(7*1)+(6*5)+(5*0)+(4*3)+(3*8)+(2*2)+(1*7)=156
156 % 10 = 6
So 915038-27-6 is a valid CAS Registry Number.
915038-27-6Upstream product
915038-27-6Downstream Products
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(R)-4-((3R,5S,6S,7R,10S,13R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
