3-Hydroxy-7-oxocholanoyltaurine

Base Information

• Chemical Name: 3-Hydroxy-7-oxocholanoyltaurine
• CAS No.: 75808-01-4
• Molecular Formula: C26H43 N O6 S
• Molecular Weight: 497.697
• Nikkaji Number: J3.555.288J
• Wikidata: Q76415447
• Mol file: 75808-01-4.mol

Synonyms:3 alpha-hydroxy-7-keto-5 beta-cholanoyltaurine;3-HOCT;3-hydroxy-7-oxocholanoyltaurine;tauro-3 alpha-hydroxy-7-keto-5 beta-cholanoic acid

Chemical Property of 3-Hydroxy-7-oxocholanoyltaurine

Chemical Property:

• PSA: 129.15000
• Density: 1.213g/cm³
• LogP: 5.07720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 497.28110926
• Heavy Atom Count: 34
• Complexity: 900

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C
• 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]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C
• Uses: 7-Ketolithocholic Acid-taurine Conjugate is a bile acid conjugate and metabolite of 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 3-Hydroxy-7-oxocholanoyltaurine

There total 1 articles about 3-Hydroxy-7-oxocholanoyltaurine 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:

taurochenodeoxycholic acid (516-35-8,13164-17-5,14605-22-2,66255-08-1,81244-85-1,81244-86-2,90082-02-3,90082-03-4,130009-03-9,132076-82-5) → 3α-hydroxy-7-carbonylcholanoyl-N-taurine (75808-01-4)

Guidance literature:

With potassium phosphate; NAD; 2-oxo-propionic acid; diothiothreitol; In water; Yield given; Ambient temperature; lactic dehydrogenase, 7α-hydroxysteroid dehydrogenase;

DOI:10.1021/jo00054a039

upstream raw materials:

taurochenodeoxycholic acid

Refernces

• 1、 Bovara, Roberto,Canzi, Enrica,Carrea, Giacomo,Pilotti, Alessandra,Riva, Sergio. "Enzymatic α/β-Inversion of the C-7 Hydroxyl of Steroids". . p. 499 - 501. Retrieved 2007/10/02.