Taurodeoxycholic Acid, Sodium Salt

Base Information

• Chemical Name: Taurodeoxycholic Acid, Sodium Salt
• CAS No.: 1180-95-6
• Molecular Formula: C26H44NNaO6S
• Molecular Weight: 521.694
• Hs Code.: 29242990
• European Community (EC) Number: 214-652-0,805-952-8
• NCI Thesaurus Code: C80659
• Mol file: 1180-95-6.mol

Synonyms:Acid, Taurodeoxycholic;Deoxycholate, Taurine;Deoxycholyltaurine;Sodium Taurodeoxycholate;Taurine Deoxycholate;Taurodeoxycholate;Taurodeoxycholate, Sodium;Taurodeoxycholic Acid

Chemical Property of Taurodeoxycholic Acid, Sodium Salt

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Melting Point: 168 °C (dec.)(lit.)
• PSA: 135.14000
• LogP: 4.52640
• Storage Temp.: Freezer (-20°C)
• Solubility.: H2O: 0.5 M at 20 °C, clear, colorless to f
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 521.27870358
• Heavy Atom Count: 35
• Complexity: 864

Purity/Quality:

99% ^*data from raw suppliers

TaurodeoxycholicAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
• Recent EU Clinical Trials: A Randomized, Double-blinded, Placebo-controlled, Parallel-treatment Group, Adaptive Design, Multi-center, Phase 2b/3 Trial to Evaluate Efficacy and Safety of NuSepin? Intravenous Infusion in COVID-19 Pneumonia Patients
• Uses: Deoxycholyltaurine rescues human colon cancer cells from apoptosis by activating EGFR-dependent PI3K/Akt signaling.

Technology Process of Taurodeoxycholic Acid, Sodium Salt

There total 1 articles about Taurodeoxycholic Acid, Sodium Salt which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

Tau (107-35-7) + Deoxycholic acid (83-44-3) → sodium taurodeoxycholate (1180-95-6)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; sodium hydroxide; In water; dimethyl sulfoxide; acetonitrile; tert-butyl alcohol; at 20 - 80 ℃;

DOI:10.1039/c2ob25528f

Reference yield:

sodium taurodeoxycholate (1180-95-6) → Tau (107-35-7) + Deoxycholic acid (83-44-3)

Guidance literature:

With ethylenediaminetetraacetic acid; chloylglycine hydrolase; 2-hydroxyethanethiol; In phosphate buffer; at 20 ℃; for 0.333333h; pH=8;

DOI:10.1016/j.steroids.2005.10.002

upstream raw materials:

Tau

Deoxycholic acid

Downstream raw materials:

Tau

Deoxycholic acid

Refernces