Tauroselcholic acid | CAS#75018-71-2

MedKoo Cat#: 535716 | Name: Tauroselcholic acid

Description:

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

Tauroselcholic acid is a bioactive chemical.

Chemical Structure

Tauroselcholic acid

CAS#75018-71-2

Theoretical Analysis

MedKoo Cat#: 535716

Name: Tauroselcholic acid

CAS#: 75018-71-2

Chemical Formula: C26H45NO7SSe

Exact Mass: 595.2082

Molecular Weight: 594.67

Elemental Analysis: C, 52.51; H, 7.63; N, 2.36; O, 18.83; S, 5.39; Se, 13.28

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

Tauroselcholic acid

IUPAC/Chemical Name

N-((((20S)-3alpha,7alpha,12alpha-Trihydroxy-20-methyl-5beta-pregnan-21-yl)selenyl)acetyl)taurine

InChi Key

JCMLWGQJPSGGEI-HZAMXZRMSA-N

InChi Code

InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

SMILES Code

OS(=O)(CCNC(C[Se]C[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O)=O

Appearance

Solid powder

Purity

>98% (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 594.67 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: Kurien M, Thurgar E, Davies A, Akehurst R, Andreyev J. Challenging current views on bile acid diarrhoea and malabsorption. Frontline Gastroenterol. 2018 Apr;9(2):92-97. doi: 10.1136/flgastro-2017-100808. Epub 2017 Jun 29. PMID: 29588835; PMCID: PMC5868445. 2: Riemsma R, Al M, Corro Ramos I, Deshpande SN, Armstrong N, Lee YC, Ryder S, Noake C, Krol M, Oppe M, Kleijnen J, Severens H. SeHCAT [tauroselcholic (selenium-75) acid] for the investigation of bile acid malabsorption and measurement of bile acid pool loss: a systematic review and cost-effectiveness analysis. Health Technol Assess. 2013 Dec;17(61):1-236. doi: 10.3310/hta17610. PMID: 24351663; PMCID: PMC4781120. 3: Walters JRF, Arasaradnam R, Andreyev HJN; UK Bile Acid Related Diarrhoea Network. Diagnosis and management of bile acid diarrhoea: a survey of UK expert opinion and practice. Frontline Gastroenterol. 2019 Sep 11;11(5):358-363. doi: 10.1136/flgastro-2019-101301. PMID: 32879719; PMCID: PMC7447276. 4: Olofsson G, Fjälling M, Kilander A, Ung KA, Jonsson O. Bile acid malabsorption after continent urinary diversion with an ileal reservoir. J Urol. 1998 Sep;160(3 Pt 1):724-7. doi: 10.1097/00005392-199809010-00024. PMID: 9720531. 5: Summers JA, Peacock J, Coker B, McMillan V, Ofuya M, Lewis C, Keevil S, Logan R, McLaughlin J, Reid F. Multicentre prospective survey of SeHCAT provision and practice in the UK. BMJ Open Gastroenterol. 2016 May 25;3(1):e000091. doi: 10.1136/bmjgast-2016-000091. PMID: 27252882; PMCID: PMC4885269. 6: Taylor JC, Hillel PG, Himsworth JM. Commissioning of a new SeHCAT detector and comparison with an uncollimated gamma camera. Nucl Med Commun. 2014 Oct;35(10):1071-6. doi: 10.1097/MNM.0000000000000162. PMID: 25036384. 7: Reid F, Peacock J, Coker B, McMillan V, Lewis C, Keevil S, Sherwood R, Vivian G, Logan R, Summers J. A Multicenter Prospective Study to Investigate the Diagnostic Accuracy of the SeHCAT Test in Measuring Bile Acid Malabsorption: Research Protocol. JMIR Res Protoc. 2016 Feb 1;5(1):e13. doi: 10.2196/resprot.4467. PMID: 26832436; PMCID: PMC4754532. 8: Khan MS, Walter T, Buchanan-Hughes A, Worthington E, Keeber L, Feuilly M, Grande E. Differential diagnosis of diarrhoea in patients with neuroendocrine tumours: A systematic review. World J Gastroenterol. 2020 Aug 14;26(30):4537-4556. doi: 10.3748/wjg.v26.i30.4537. PMID: 32874063; PMCID: PMC7438200.

View History

MedKoo CAT#: 123337

CAS#: 1637329-79-3

Description:

Chemical Structure

Theoretical Analysis

Price and Availability

Preparing Stock Solutions

View History

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