Cas no 2958-04-5 (Taurohyodeoxycholic Acid Sodium Salt)

Taurohyodeoxycholic Acid Sodium Salt is a bile acid derivative with applications in biochemical and pharmaceutical research. It is characterized by its high purity and stability, making it suitable for studies involving bile acid metabolism, membrane interactions, and solubilization of lipids. The sodium salt form enhances its solubility in aqueous solutions, facilitating experimental use. This compound is particularly valuable for investigating hepatobiliary functions and as a reference standard in analytical methods. Its well-defined structure and consistent quality ensure reliable performance in both in vitro and in vivo studies. Proper handling and storage are recommended to maintain its integrity.
Taurohyodeoxycholic Acid Sodium Salt structure
2958-04-5 structure
Product Name:Taurohyodeoxycholic Acid Sodium Salt
CAS No:2958-04-5
MF:C26H45NO6S
MW:499.703607320786
CID:272817
PubChem ID:119046
Update Time:2025-05-24

Taurohyodeoxycholic Acid Sodium Salt Chemical and Physical Properties

Names and Identifiers

    • Ethanesulfonic acid,2-[[(3a,5b,6a)-3,6-dihydroxy-24-oxocholan-24-yl]amino]-
    • TAUROHYODEOXYCHOLIC ACID
    • tatsinine perchlorate
    • Taurohyodesoxycholsaeure
    • Taurine Hyodeoxycholate
    • D6V086EMME
    • 5-Beta-cholanic acid-3-alpha, 6-alpha-diol N-(2-sulphoethyl)-amide
    • THDCA
    • 8030AH
    • BDBM50375591
    • ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,6.ALPHA.)-3,6-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-
    • CS-0083750
    • 3,6-Dihydroxy-N-(2-sulfoethyl)cholan-24-imidic acid
    • DTXSID10952061
    • AC-34551
    • '2-((4R)-4-((3R,5R,6S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid'
    • AKOS040756031
    • TAURINE, N-(3.ALPHA.,6.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-
    • HY-114360
    • CHEBI:139138
    • CCRIS 6480
    • Ethanesulfonic acid, 2-(((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)amino)-
    • CHEMBL270516
    • 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
    • N-(3alpha,6alpha-dihydroxy-5beta-cholan-24-oyl)-taurine
    • 2-(((3alpha,5beta,6alpha)-3,6-Dihydroxy-24-cholan-24-yl)amino)ethanesulfonic acid
    • 2-[[(4R)-4-[(3R, 5R, 6S, 8S, 9S, 10R, 13R, 14S, 17R)-3, 6-dihydroxy-10, 13-dimethyl-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
    • Q27276185
    • UNII-D6V086EMME
    • MS-29281
    • TAUROHYODEOXYCHOLIC ACID SODIUM SALT
    • 2958-04-5
    • SCHEMBL26843142
    • G12861
    • Taurohyodeoxycholic Acid Sodium Salt
    • Inchi: 1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1
    • InChI Key: HMXPOCDLAFAFNT-BHYUGXBJSA-N
    • SMILES: S(CCNC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O)O)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 499.29700
  • Monoisotopic Mass: 499.29675933 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 858
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 132
  • Molecular Weight: 499.7

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: >165°C (dec.)
  • Boiling Point: Not available
  • Flash Point: Not available
  • Refractive Index: 1.552
  • Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
  • PSA: 132.31000
  • LogP: 4.86900
  • Vapor Pressure: Not available

Taurohyodeoxycholic Acid Sodium Salt Security Information

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Taurohyodeoxycholic Acid Sodium Salt Suppliers

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(CAS:2958-04-5)Taurohyodeoxycholic Acid
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:08
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Additional information on Taurohyodeoxycholic Acid Sodium Salt

Taurohyodeoxycholic Acid Sodium Salt: A Comprehensive Overview

Taurohyodeoxycholic acid sodium salt, with the CAS number 2958-04-5, is a bile acid derivative that has garnered significant attention in the fields of pharmacology and medical research. This compound is a sodium salt of taurohyodeoxycholic acid, which is a naturally occurring bile acid found in the human body. The compound is widely studied for its potential therapeutic applications, particularly in the treatment of liver diseases, metabolic disorders, and certain types of cancer.

Taurohyodeoxycholic acid sodium salt has been extensively researched for its role in modulating bile acid metabolism. Recent studies have highlighted its ability to regulate cholesterol homeostasis and improve liver function. The compound is known to activate the farnesoid X receptor (FXR), a nuclear receptor that plays a critical role in bile acid synthesis and lipid metabolism. This property makes it a promising candidate for the development of drugs targeting metabolic syndrome and non-alcoholic fatty liver disease (NAFLD).

The chemical structure of taurohyodeoxycholic acid sodium salt consists of a cholestane skeleton with hydroxyl and sulfonic acid groups. The sulfonation process enhances its solubility and bioavailability, making it suitable for systemic administration. Researchers have also explored its anti-inflammatory and antioxidant properties, which are attributed to its ability to reduce reactive oxygen species (ROS) and inhibit pro-inflammatory cytokines such as tumor necrosis factor-alpha (TNF-α) and interleukin-6 (IL-6).

One of the most exciting developments in recent years is the investigation of taurohyodeoxycholic acid sodium salt as a potential anticancer agent. Preclinical studies have demonstrated its ability to induce apoptosis in various cancer cell lines, including those derived from hepatocellular carcinoma, breast cancer, and colorectal cancer. The compound's mechanism of action involves the modulation of key signaling pathways such as the PI3K/AKT/mTOR pathway, which is often dysregulated in cancer cells.

In addition to its therapeutic potential, taurohyodeoxycholic acid sodium salt has been studied for its role in gut microbiota modulation. Emerging evidence suggests that bile acids play a crucial role in maintaining gut health by influencing the composition and activity of the microbiome. The compound's ability to regulate gut microbiota could have implications for the treatment of inflammatory bowel disease (IBD) and other gastrointestinal disorders.

The synthesis and characterization of taurohyodeoxycholic acid sodium salt have also been optimized in recent years. Researchers have developed efficient methods for large-scale production, ensuring that the compound is available for preclinical and clinical studies. Advanced analytical techniques such as high-performance liquid chromatography (HPLC) and mass spectrometry have been employed to ensure the purity and stability of the compound.

Despite its promising properties, further research is needed to fully understand the safety profile and efficacy of taurohyodeoxycholic acid sodium salt in humans. Ongoing clinical trials are evaluating its tolerability and pharmacokinetics in healthy volunteers and patients with liver diseases. These studies are expected to provide critical insights into its potential as a therapeutic agent.

In conclusion, taurohyodeoxycholic acid sodium salt represents a novel class of bile acid derivatives with diverse therapeutic applications. Its ability to modulate bile acid metabolism, regulate inflammation, and influence cancer cell signaling makes it a compelling candidate for drug development. As research continues to uncover its mechanisms of action and clinical potential, this compound holds great promise for advancing medical treatments in various disease areas.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2958-04-5)Taurohyodeoxycholic Acid
LE12925
Purity:99%
Quantity:25KG,200KG,1000KG
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