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Glyco-Obeticholic acid - ≥98.0%, high purity , CAS No.863239-60-5
Basic Description
Synonyms
6-Egcdca | BDBM50250872 | UNII-O2MZK6V9LQ | Glycine, N-[(3a,5b,6a,7a)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl]- | AKOS040733278 | Glycine, N-((3alpha,5beta,6alpha,7alpha)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl)- | SCHEMBL17734129 | HY-135400 | Glycoobe
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Glyco-obeticholic acid is an active metabolite of Obeticholic acid. Obeticholic acid is a farnesoid X receptor (FXR) agonist.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Glyco-obeticholic acid is an active metabolite of Obeticholic acid. Obeticholic acid is a farnesoid X receptor (FXR) agonist.
In Vitro
Obeticholic acid is conjugated with glycine in the liver to form glycol-obeticholic acid, which is secreted into bile. Microorganisms in the ileum and colon can deconjugate glyco-obeticholic acid, converting it into the parent drug, which may then be reabsorbed or excreted in faeces. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
INCHI
InChI=1S/C28H47NO5/c1-5-18-22-14-17(30)10-12-28(22,4)21-11-13-27(3)19(7-8-20(27)25(21)26(18)34)16(2)6-9-23(31)29-15-24(32)33/h16-22,25-26,30,34H,5-15H2,1-4H3,(H,29,31)(H,32,33)/t16-,17-,18-,19-,20+,21+,22+,25+,26-,27-,28-/m1/s1
InChIKey
MTLPUOZJBFHNSO-FCWTVGIUSA-N
Smiles
CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)NCC(=O)O)C)C)O
Isomeric SMILES
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)O
PubChem CID
121322333
Molecular Weight
477.68
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
477.700 g/mol
XLogP3
5.100
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Exact Mass
477.345 Da
Monoisotopic Mass
477.345 Da
Topological Polar Surface Area
107.000 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
772.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
11
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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