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Application Area
Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Obeticholic acid-[1,1,2,2,2-d5]

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General Information
Catalog: BLP-013799
CAS: 1992000-80-2
Molecular Formula: C26H39D5O4
Molecular Weight: 425.66
Chemical Structure
Obeticholic acid-[1,1,2,2,2-d5]
Description Obeticholic acid-[d5] is the labelled analogue of Obeticholic acid, which is a potent and selective farnesoid X receptor (FXR) agonist with EC50 of 99 nM. It reduced liver fat and reverted cholestasis in a rat model.
Synonyms Obeticholic acid-d5; (3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oic Acid-d5; 3α,7β-Dihydroxy-6α-ethyl-5β-cholan-24-oic Acid-d5; 6-ECDCA-d5; 6α-Ethylchenodeoxycholic Acid-d5; INT 747-d5; Obeticholic Acid-d5; Ocaliva-d5; 6-Ethylchenodeoxycholic acid-d5
IUPAC Name (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS 459789-99-2 (unlabelled)
Canonical SMILES CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O
InChI InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/i1D3,5D2
InChI Key ZXERDUOLZKYMJM-QFCIBDECSA-N
Melting Point >101°C (subl.)
Purity ≥96%; ≥96% atom D
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance White to Off-white Solid
Storage Store at -20°C
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