Glycochenodeoxycholic acid sodium salt

Base Information

• Chemical Name: Glycochenodeoxycholic acid sodium salt
• CAS No.: 16564-43-5
• Molecular Formula: C26H42NNaO5
• Molecular Weight: 471.613
• Hs Code.: 29242990
• Mol file: 16564-43-5.mol

Synonyms:Glycochenodeoxycholic acid sodium salt;s6355;Glycine, N-[(3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)

Chemical Property of Glycochenodeoxycholic acid sodium salt

Chemical Property:

• Vapor Pressure: 5.74E-20mmHg at 25°C
• Melting Point: 160-170 °C
• Boiling Point: 655.6 °C at 760 mmHg
• Flash Point: 350.3 °C
• PSA: 109.69000
• LogP: 2.65030
• Storage Temp.: room temp
• Solubility.: H2O: 50 mg/mL, clear, faintly yellow
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 472.30389275
• Heavy Atom Count: 33
• Complexity: 727

Purity/Quality:

99% ^*data from raw suppliers

Glycochenodeoxycholic Acid Sodium Salt ^*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)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na]
• Isomeric SMILES: C[C@H](CCC(=O)NCC(=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]
• Uses: Glycochenodeoxycholic Acid Sodium Salt is a bile salt formed in the liver from chenodeoxycholate and glycine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. Sodium glycochenodeoxycholate has been used in a study to assess the repair of DNA damage induced by bile salts. It has also been used in a study to investigate enterotoxin production by Clostridium perfringens type A in the presence of human bile salts.

Technology Process of Glycochenodeoxycholic acid sodium salt

There total 1 articles about Glycochenodeoxycholic 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: 78.0%

chenodeoxycholic acid (474-25-9) + glycine (56-40-6,18875-39-3,25718-94-9) → glycochenodeoxycholic acid sodium salt (16564-43-5)

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:

glycochenodeoxycholic acid sodium salt (16564-43-5) → chenodeoxycholic acid (474-25-9) + glycine (56-40-6,18875-39-3,25718-94-9)

Guidance literature:

With ethylenediaminetetraacetic acid; chloylglycine hydrolase; 2-hydroxyethanethiol; In phosphate buffer; at 20 ℃; for 3h; pH=8;

DOI:10.1016/j.steroids.2005.10.002

Reference yield:

glycochenodeoxycholic acid sodium salt (16564-43-5) → ursodeoxycholic acid (128-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent Chromat. / chloylglycine hydrolase; β-mercaptoethanol; EDTA / aq. phosphate buffer / 3 h / 20 °C / pH 8

2: 75 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C

With ethylenediaminetetraacetic acid; 7β-hydroxysteroid dehydrogenase; chloylglycine hydrolase; Sepharose-CL₆B; TEA; 2-hydroxyethanethiol; nicotinamide adenine dinucleotide; In phosphate buffer; water;

DOI:10.1016/j.steroids.2005.10.002

upstream raw materials:

chenodeoxycholic acid

glycine

Downstream raw materials:

chenodeoxycholic acid

glycine

ursodeoxycholic acid

Refernces