Glycine-β-muricholic Acid

Catalog NumberBL-M000530
CAS Number66225-78-3
DescriptionGlycine-β-muricholic acid (GβMCA) is a potent, oral bioactive and intestine-selective antagonist of the farnesoid X receptor (FXR) that may be a candidate for the treatment of metabolic disorders.
IUPAC Name2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-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
SynonymsGly-MCA; GβMCA; N-[(3α,5β,6β,7β)-3,6,7-trihydroxy-24-oxocholan-24-yl]-glycine; 5β-Cholanic acid-3α,6β,7β-triol N-(carboxymethyl)-amide
Molecular Weight465.63
Molecular FormulaC26H43NO6
Boiling Point673.4±55.0 °C at 760 mmHg
Purity≥95%
Density1.213±0.06 g/cm3
AppearanceCrystalline Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 67.07%, H 9.31%, N 3.01%, O 20.62%
Canonical SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
InChIInChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16-,17+,18+,19+,22+,23+,24-,25-,26-/m1/s1
InChI KeyZQYUKJFJPJDMMR-IIWZPVADSA-N

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