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MedKoo Cat#: 464679 | Name: THCA-d4 sodium
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Description:

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

Taurohyocholic acid-d4 (THCA-d4) is intended for use as an internal standard for the quantification of THCA by GC- or LC-MS. THCA is a taurine-conjugated form of the porcine-specific primary bile acid hyocholic acid. THCA inhibits precipitation of cholesterol crystals by stabilizing cholesterol in the liquid-crystalline phase. It prevents cholestasis and cellular necrosis induced by taurolithocholic acid in isolated rat liver.3 THCA levels are increased in the urine of patients with hepatitis B-induced cirrhosis.

Chemical Structure

THCA-d4 sodium
THCA-d4 sodium
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464679

Name: THCA-d4 sodium

CAS#: unknown

Chemical Formula: C26H40D4NNaO7S

Exact Mass: 541.2987

Molecular Weight: 541.71

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
1mg USD 600.00 2 Weeks
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Related CAS #
No Data
Synonym
THCA-d4 sodium salt; THCA-d4; Taurohyocholate-d4; Tauro-γ-muricholic Acid-d4; Taurine Hyocholate-d4; Taurohyocholic Acid-d4; Taurohyocholic Acid d4; Taurohyocholic Acid-d4 sodium salt; Taurohyocholic Acid d4 sodium salt;
IUPAC/Chemical Name
sodium 2-((R)-4-((3R,5R,6R,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 Key
NYXROOLWUZIWRB-KOMZIBPTSA-M
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
O[C@@H]1C([2H])(C[C@]2([C@@]([H])(C1([2H])[2H])[C@H]([C@H]([C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])[H])C)[H])[H])O)O)C)[2H].[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
More Info
Solvent mg/mL mM comments
Solubility
DMF 30.0 55.38
DMF:PBS (pH 7.2) (1:1) 0.5 0.92
DMSO 20.0 36.92
Ethanol 20.0 36.92
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 541.71 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
1: Grzych G, Chávez-Talavera O, Descat A, Thuillier D, Verrijken A, Kouach M, Legry V, Verkindt H, Raverdy V, Legendre B, Caiazzo R, Van Gaal L, Goossens JF, Paumelle R, Francque S, Pattou F, Haas JT, Tailleux A, Staels B. NASH-related increases in plasma bile acid levels depend on insulin resistance. JHEP Rep. 2020 Dec 16;3(2):100222. doi: 10.1016/j.jhepr.2020.100222. PMID: 33615207; PMCID: PMC7878982. 2: Li R, Zeng L, Xie S, Chen J, Yu Y, Zhong L. Targeted metabolomics study of serum bile acid profile in patients with end-stage renal disease undergoing hemodialysis. PeerJ. 2019 Jun 17;7:e7145. doi: 10.7717/peerj.7145. PMID: 31245185; PMCID: PMC6585905. 3: Lim DW, Wales PW, Mi S, Yap JY, Curtis JM, Mager DR, Mazurak VC, Wizzard PR, Sigalet DL, Turner JM. Glucagon-Like Peptide-2 Alters Bile Acid Metabolism in Parenteral Nutrition--Associated Liver Disease. JPEN J Parenter Enteral Nutr. 2016 Jan;40(1):22-35. doi: 10.1177/0148607115595596. Epub 2015 Jul 28. PMID: 26220199. 4: Mencarelli A, Renga B, D'Amore C, Santorelli C, Graziosi L, Bruno A, Monti MC, Distrutti E, Cipriani S, Donini A, Fiorucci S. Dissociation of intestinal and hepatic activities of FXR and LXRα supports metabolic effects of terminal ileum interposition in rodents. Diabetes. 2013 Oct;62(10):3384-93. doi: 10.2337/db13-0299. Epub 2013 Jul 8. PMID: 23835330; PMCID: PMC3781484. 5: He J, Zhang Y, Ito Y, Sun W. Semi-Preparative Isolation and Purification of Three Tauro-Conjugated Cholic Acids from Pulvis Fellis Suis by HSCCC Coupled with ELSD Detection. Chromatographia. 2011;73(3-4):361-365. doi: 10.1007/s10337-010-1893-2. PMID: 21442029; PMCID: PMC3063647. 6: Ogawa H, Mink J, Hardison WG, Miyai K. Alkaline phosphatase activity in hepatic tissue and serum correlates with amount and type of bile acid load. Lab Invest. 1990 Jan;62(1):87-95. PMID: 2296160.

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