TαMCA-d4 sodium salt

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MedKoo CAT#: 464801

CAS#: unknown

Description: Tauro-α-muricholic acid-d4 (TαMCA-d4) is intended for use as an internal standard for the quantification of TαMCA by GC- or LC-MS. TαMCA is an antagonist of the farnesoid X receptor (FXR; IC50 = 28 µM) and a taurine-conjugated form of the murine-specific primary bile acid α-muricholic acid. TαMCA is common in rodents but has also been found in small amounts in human serum.

Chemical Structure

TαMCA-d4 sodium salt
CAS# unknown

Theoretical Analysis

MedKoo Cat#: 464801
Name: TαMCA-d4 sodium salt
CAS#: unknown
Chemical Formula: C26H40D4NNaO7S
Exact Mass: 541.2987
Molecular Weight: 541.7122
Elemental Analysis: C, 57.65; H, 8.93; N, 2.59; Na, 4.24; O, 20.67; S, 5.92

Price and Availability

Size Price Availability Quantity
1.0mg USD 700.0 2 Weeks
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Synonym: TαMCA-d4; TαMCA d4; Tauro-α-muricholate-d4; Tauro-α-muricholic Acid-d4 (sodium salt);

IUPAC/Chemical Name: sodium 2-((R)-4-((3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,4-d4)pentanamido)ethane-1-sulfonate


InChi Code: InChI=1S/C26H45NO7S.Na/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31;/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34);/q;+1/p-1/t15-,16-,17-,18+,19+,20+,22+,23+,24+,25-,26-;/m1./s1/i8D2,14D2;

SMILES Code: C[C@@H]([C@]1(CC[C@]2([C@@]3([C@@H]([C@H]([C@@]4(C([2H])([C@@H](C([2H])(C[C@@]4([C@]3(CC[C@@]21C)[H])C)[2H])O)[2H])[H])O)O)[H])[H])[H])CCC(NCCS([O-])(=O)=O)=O.[Na+]

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMF 10.0 18.46
DMSO 10.0 18.46
DMSO:PBS (pH 7.2) (1:4) 0.2 0.37
Ethanol 1.0 1.0

Preparing Stock Solutions

The following data is based on the product molecular weight 541.7122 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.

Recalculate based on batch purity %
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

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