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MedKoo Cat#: 582038 | Name: Dehydrocholate sodium

Description:

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

Dehydrocholate sodium is a semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.

Chemical Structure

Dehydrocholate sodium
Dehydrocholate sodium
CAS#145-41-5

Theoretical Analysis

MedKoo Cat#: 582038

Name: Dehydrocholate sodium

CAS#: 145-41-5

Chemical Formula: C24H33NaO5

Exact Mass: 424.2200

Molecular Weight: 424.51

Elemental Analysis: C, 67.90; H, 7.84; Na, 5.42; O, 18.84

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 #
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Synonym
Dehydrocholate sodium; Biliron; Carachol; Decholin Sodium; Decholin sodium salt; Dehidrocolato sodico; Dilabil sodium; Dycholium; Natrii dehydrocholas; Natriumdehydrocholat; Sodium dehydrocholate; Suprachol.
IUPAC/Chemical Name
sodium (R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
InChi Key
FKJIJBSJQSMPTI-CAOXKPNISA-M
InChi Code
InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
SMILES Code
[C@H]12[C@H]3[C@@]([C@H](CC3)[C@@H](CCC(=O)[O-])C)(C(=O)C[C@@H]1[C@@]1([C@H](CC2=O)CC(=O)CC1)C)C.[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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 424.51 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: Hayashi K, Morimoto K, Kamei T, Mieda E, Ichikawa S, Kuroiwa T, Fujita S, Nakamura H, Umakoshi H. Effect of dehydrocholic acid conjugated with a hydrocarbon on a lipid bilayer composed of 1,2-dioleoyl-sn-glycero-3-phosphocholine. Colloids Surf B Biointerfaces. 2019 Sep 1;181:58-65. doi: 10.1016/j.colsurfb.2019.05.009. Epub 2019 May 10. PubMed PMID: 31121382. 2: Zhang SL, Xiao C, Wan HX, Zhang X. General and selective syn-carboxylation-trifluoromethylation of terminal alkynes: application to the late-stage modification of dehydrocholic acid. Chem Commun (Camb). 2019 Apr 2;55(28):4099-4102. doi: 10.1039/c9cc01173k. PubMed PMID: 30887991. 3: Sillner N, Walker A, Koch W, Witting M, Schmitt-Kopplin P. Metformin impacts cecal bile acid profiles in mice. J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Apr 15;1083:35-43. doi: 10.1016/j.jchromb.2018.02.029. Epub 2018 Feb 25. PubMed PMID: 29522956. 4: Kong W, Yu C, An H, Song Q. Photoredox-Catalyzed Decarboxylative Alkylation of Silyl Enol Ethers To Synthesize Functionalized Aryl Alkyl Ketones. Org Lett. 2018 Jan 19;20(2):349-352. doi: 10.1021/acs.orglett.7b03587. Epub 2018 Jan 4. PubMed PMID: 29300492. 5: Loupa G, Zarogianni AM, Karali D, Kosmadakis I, Rapsomanikis S. Indoor/outdoor PM2.5 elemental composition and organic fraction medications, in a Greek hospital. Sci Total Environ. 2016 Apr 15;550:727-735. doi: 10.1016/j.scitotenv.2016.01.070. Epub 2016 Feb 2. PubMed PMID: 26849336. 6: Cirri M, Maestrelli F, Mennini N, Mura P. Combined use of bile acids and aminoacids to improve permeation properties of acyclovir. Int J Pharm. 2015 Jul 25;490(1-2):351-9. doi: 10.1016/j.ijpharm.2015.05.052. Epub 2015 May 30. PubMed PMID: 26037934. 7: Martinez Mdel C, Ruspini SF, Afonso SG, Meiss R, Buzaleh AM, Batlle A. Experimental protoporphyria: effect of bile acids on liver damage induced by griseofulvin. Biomed Res Int. 2015;2015:436319. doi: 10.1155/2015/436319. Epub 2015 Apr 7. PubMed PMID: 25945334; PubMed Central PMCID: PMC4405217. 8: Sun B, Hartl F, Castiglione K, Weuster-Botz D. Dynamic mechanistic modeling of the multienzymatic one-pot reduction of dehydrocholic acid to 12-keto ursodeoxycholic acid with competing substrates and cofactors. Biotechnol Prog. 2015 Mar-Apr;31(2):375-86. doi: 10.1002/btpr.2036. Epub 2015 Feb 2. PubMed PMID: 25641915. 9: Rosenthal RL. What we counted. Am J Cardiol. 2013 Apr 1;111(7):1073-5. doi: 10.1016/j.amjcard.2012.12.028. Epub 2013 Jan 23. PubMed PMID: 23352263. 10: Peng C, Tian J, Lv M, Huang Y, Tian Y, Zhang Z. Development and validation of a sensitive LC-MS-MS method for the simultaneous determination of multicomponent contents in artificial Calculus Bovis. J Chromatogr Sci. 2014 Feb;52(2):128-36. doi: 10.1093/chromsci/bms256. Epub 2013 Jan 11. PubMed PMID: 23315150. 11: Liu L, Braun M, Gebhardt G, Weuster-Botz D, Gross R, Schmid RD. One-step synthesis of 12-ketoursodeoxycholic acid from dehydrocholic acid using a multienzymatic system. Appl Microbiol Biotechnol. 2013 Jan;97(2):633-9. doi: 10.1007/s00253-012-4340-5. Epub 2012 Aug 17. PubMed PMID: 22899496. 12: Sun B, Kantzow C, Bresch S, Castiglione K, Weuster-Botz D. Multi-enzymatic one-pot reduction of dehydrocholic acid to 12-keto-ursodeoxycholic acid with whole-cell biocatalysts. Biotechnol Bioeng. 2013 Jan;110(1):68-77. doi: 10.1002/bit.24606. Epub 2012 Sep 18. PubMed PMID: 22806613. 13: Braun M, Sun B, Anselment B, Weuster-Botz D. Novel whole-cell biocatalysts with recombinant hydroxysteroid dehydrogenases for the asymmetric reduction of dehydrocholic acid. Appl Microbiol Biotechnol. 2012 Sep;95(6):1457-68. doi: 10.1007/s00253-012-4072-6. Epub 2012 May 15. PubMed PMID: 22581067. 14: Daguer JP, Ciobanu M, Barluenga S, Winssinger N. Discovery of an entropically-driven small molecule streptavidin binder from nucleic acid-encoded libraries. Org Biomol Chem. 2012 Feb 28;10(8):1502-5. doi: 10.1039/c2ob06880j. Epub 2012 Jan 12. PubMed PMID: 22237952. 15: Úriz M, Sáez E, Prieto J, Medina JF, Banales JM. Ursodeoxycholic acid is conjugated with taurine to promote secretin-stimulated biliary hydrocholeresis in the normal rat. PLoS One. 2011;6(12):e28717. doi: 10.1371/journal.pone.0028717. Epub 2011 Dec 14. PubMed PMID: 22194894; PubMed Central PMCID: PMC3237485. 16: Fritzler JM, Zhu G. Novel anti-Cryptosporidium activity of known drugs identified by high-throughput screening against parasite fatty acyl-CoA binding protein (ACBP). J Antimicrob Chemother. 2012 Mar;67(3):609-17. doi: 10.1093/jac/dkr516. Epub 2011 Dec 13. PubMed PMID: 22167242; PubMed Central PMCID: PMC3276058. 17: Mohamed AA, Matijević E. Preparation and characterization of uniform drug particles: dehydrocholic acid. J Colloid Interface Sci. 2012 Feb 15;368(1):625-8. doi: 10.1016/j.jcis.2011.11.005. Epub 2011 Nov 11. PubMed PMID: 22153852. 18: Andrási N, Helenkár A, Vasanits-Zsigrai A, Záray G, Molnár-Perl I. The role of the acquisition methods in the analysis of natural and synthetic steroids and cholic acids by gas chromatography-mass spectrometry. J Chromatogr A. 2011 Nov 11;1218(45):8264-72. doi: 10.1016/j.chroma.2011.09.006. Epub 2011 Sep 14. PubMed PMID: 21981935. 19: Fukuoka S, Richter W, Howe J, Andrä J, Rössle M, Alexander C, Gutsmann T, Brandenburg K. Biophysical investigations into the interactions of endotoxins with bile acids. Innate Immun. 2012 Apr;18(2):307-17. doi: 10.1177/1753425911404093. Epub 2011 Sep 27. PubMed PMID: 21954318. 20: Tognetti L, Giorgini S, Lotti T. Erythema multiforme-like eruption from a slimming drug preparation cutaneous adverse drug reaction. Indian Dermatol Online J. 2011 Jul;2(2):78-81. doi: 10.4103/2229-5178.85996. PubMed PMID: 23130230; PubMed Central PMCID: PMC3481817.