Taurochenodeoxycholic acid sodium

Base Information

• Chemical Name: Taurochenodeoxycholic acid sodium
• CAS No.: 6009-98-9
• Molecular Formula: C26H44NNaO6S
• Molecular Weight: 521.694
• Hs Code.: 29309090
• European Community (EC) Number: 684-591-6
• Mol file: 6009-98-9.mol

Synonyms:6009-98-9;Taurochenodeoxycholic acid sodium;AKOS040760712

Chemical Property of Taurochenodeoxycholic acid sodium

Chemical Property:

• Appearance/Colour: WHITE TO OFF-WHITE POWDER
• Melting Point: 165-175 °C
• Boiling Point: 215?°C(lit.)
• Flash Point: 195?°F
• PSA: 135.14000
• Density: 1.164?g/mL?at 25?°C(lit.)
• LogP: 4.52640
• Storage Temp.: room temp
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 522.28652861
• Heavy Atom Count: 35
• Complexity: 858

Purity/Quality:

98%,99%, ^*data from raw suppliers

TaurochenodeoxycholicAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• 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(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na]
• Isomeric SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na]
• Description: Taurochenodeoxycholic acid (TCDCA) is a taurine-conjugated form of the primary bile acid chenodeoxycholic acid (CDCA; ). Serum levels of TCDCA increase approximately 5-fold in within two hours and begin to decrease within four hours during an oral lipid tolerance test in humans. Serum levels of TCDCA are increased in patients with liver cirrhosis and may serve as a marker of disease progression.
• Uses: Taurochenodeoxycholic acid sodium salt is a bile acid conjugate and metabolite Taurolithocholic Acid (T009100) with antiinflammatory activity. It has been shown to inhibit hepatocyte apopt osis through suppression of Bid translocation to mitochondria. Labeled Taurochenodeoxycholic Acid, intended for use as an internal standard for the quantification of Taurochenodeoxycholic Acid by GC- or LC-mass spectrometry. Taurochenodeoxycholic Acid Sodium Salt is a bile acid conjugate and metabolite Taurolithocholic Acid (T009100) with antiinflammatory activity. Taurochenodeoxycholic Acid has been shown to inhibit hepatocyte apoptosis through suppression of Bid translocation to mitochondria.

Technology Process of Taurochenodeoxycholic acid sodium

There total 1 articles about Taurochenodeoxycholic acid sodium 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: 93.0%

Tau (107-35-7) + chenodeoxycholic acid (474-25-9) → sodium taurochenodeoxycholate (6009-98-9)

Guidance literature:

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

DOI:10.1039/c2ob25528f

Reference yield: 70.0%

sodium taurochenodeoxycholate (6009-98-9) → tauroursodeoxycholic acid sodium salt (35807-85-3)

Guidance literature:

With 7α-hydroxysteroid dehydrogenases co-immobilised on modified chitosan microspheres; NADPH; In aq. buffer; at 25 ℃; for 5h; pH=8.5; Reagent/catalyst; Catalytic behavior; Enzymatic reaction;

DOI:10.1039/c8ra06798h

Reference yield:

sodium taurochenodeoxycholate (6009-98-9) → Tau (107-35-7) + chenodeoxycholic acid (474-25-9)

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

chenodeoxycholic acid

Downstream raw materials:

Tau

chenodeoxycholic acid

ursodeoxycholic acid

tauroursodeoxycholic acid sodium salt