Tauro-obeticholic acid | CAS# 863239-61-6 | Metabolite

MedKoo Cat#: 574161 | Name: Tauro-obeticholic acid

Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Tauro-obeticholic acid is an active metabolite of obeticholic acid --- a farnesoid X receptor (FXR) agonist and semisynthetic derivative of chenodeoxycholic acid. Tauro-obeticholic acid is formed from obeticholic acid by taurine conjugation in the liver but can be reconverted back to obeticholic acid by intestinal microflora.

Chemical Structure

Tauro-obeticholic acid

CAS#863239-61-6

Theoretical Analysis

MedKoo Cat#: 574161

Name: Tauro-obeticholic acid

CAS#: 863239-61-6

Chemical Formula: C28H49NO6S

Exact Mass: 527.3281

Molecular Weight: 527.76

Elemental Analysis: C, 63.72; H, 9.36; N, 2.65; O, 18.19; S, 6.07

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 450.00
5mg	USD 950.00

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

Obeticholic Acid Taurine Conjugate, Tauro 6-Ethylchenodeoxycholic Acid, Tauro-obeticholic acid

IUPAC/Chemical Name

2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid

InChi Key

JEZXQTZLWHAKAC-NQGMLVFVSA-N

InChi Code

InChI=1S/C28H49NO6S/c1-5-19-23-16-18(30)10-12-28(23,4)22-11-13-27(3)20(7-8-21(27)25(22)26(19)32)17(2)6-9-24(31)29-14-15-36(33,34)35/h17-23,25-26,30,32H,5-16H2,1-4H3,(H,29,31)(H,33,34,35)/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1

SMILES Code

CC[C@@H]1[C@]2([H])C[C@H](O)CC[C@]2(C)[C@]3([H])[C@@]([C@@](CC[C@]4([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)([H])[C@]4(C)CC3)([H])[C@@H]1O

Appearance

Solid powder

Purity

>95% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 527.76 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1. Markham, A., and Keam, S.J. Obeticholic Acid: First global approval. Drugs 76(12), 1221-1226 (2016). 2: Valluri VR, Katari NK, Khatri C, Yadlapalli SSR, Anand K, Gundla R, Polagani SR. A novel LC-MS/MS method for simultaneous estimation of obeticholic acid, glyco-obeticholic acid, tauro-obeticholic acid in human plasma and its application to a pharmacokinetic study. J Sep Sci. 2021 Apr;44(7):1307-1323. doi: 10.1002/jssc.202001050. Epub 2021 Feb 8. PMID: 33395497.