Introduction：Basic information about GLYCODEOXYCHOLIC ACID CAS 360-65-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
GLYCODEOXYCHOLIC ACID Basic information
| Product Name: | GLYCODEOXYCHOLIC ACID |
| Synonyms: | deoxycholylglycine;glycodeoxy-5-beta-cholan-24-oicaci;glykodesoxycholsaeure;n-((3-alpha,5-beta,12-alpha)-3,12-dihydroxy-24-oxocholan-24-yl)-glycine;n-(3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-yl)-glycin;3α,12α-Dihydroxy-5β-cholanoic acid N-(carboxymethyl)amide;N-(3α,12α-Dihydroxy-24-oxocholan-24-yl)glycine;2-[4-[(3R,5R,10R,12S,13R)-3,12-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]pentylamino]acetic acid |
| CAS: | 360-65-6 |
| MF: | C26H43NO5 |
| MW: | 449.63 |
| EINECS: | |
| Product Categories: | |
| Mol File: | 360-65-6.mol |
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GLYCODEOXYCHOLIC ACID Chemical Properties
| Melting point | 184 °C |
| Boiling point | 655.6±50.0 °C(Predicted) |
| density | 1.162±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Acetonitrile (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| pka | pKa 3.87±0.06(H2O,t = 25.0±0.1,I=0.00) (Uncertain) |
| form | Solid |
| color | White to Off-White |
| InChIKey | WVULKSPCQVQLCU-XHOVQGJQNA-N |
| SMILES | C[C@]12[C@H](C[C@]3([H])[C@]4(CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)NCC(=O)O)C)O |&1:1,2,4,6,9,12,16,18,22,24,r| |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| RTECS | MB9670000 |
| F | 10 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | mouse,LD50,intravenous,140mg/kg (140mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970. |
GLYCODEOXYCHOLIC ACID Usage And Synthesis
| Uses | Glycodeoxycholic Acid is a bile acid that induces severe pancreatitis in rats. |
| Definition | ChEBI: Glycodeoxycholic acid is a bile acid glycine conjugate of deoxycholic acid. It has a role as a human metabolite. It is functionally related to a deoxycholic acid. It is a conjugate acid of a glycodeoxycholate. |
| in vivo | Glycodeoxycholic Acid (11.20 mg/kg, biliary and pancreatic duct injection) can induce acute pancreatitis in rhesus monkeys[3].
| Animal Model: | Experimental macaque model[3] | | Dosage: | 11.20 mg/kg | | Administration: | injected along the biliopancreatic duct | | Result: | Increased the levels of Serum amylase and lipase.
Elevated Blood pressure and heart rate. |
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| Purification Methods | Glycodeoxycholic acid recrystallises from H2O or aqueous EtOH with 1 mol of H2O and is dried at 100o in vacuo. Its solubility in EtOH is ~5%. [UV: Lindstedt & Sj.vall Acta Chem Scand 11 421 1957.] The Na salt recrystallises from EtOH/Et2O with m 245-250o and [] D23 +41.2o (c 1, H2O) [Wieland Hoppe Seyler's Z Physiol Chem 106 181 1919, Cortese J Am Chem Soc 59 2532 1937]. [Beilstein 10 IV 1611.] |
GLYCODEOXYCHOLIC ACID Preparation Products And Raw materials
| Raw materials | Cholan-24-oic acid,3,12-bis(formyloxy)-, (3a,5b,12a)--->Deoxycholic acid-->ethyl glycodeoxycholate-->Glycine |
