Gabexate

Base Information

• Chemical Name: Gabexate
• CAS No.: 39492-01-8
• Molecular Formula: C₁₆H₂₃N₃O₄
• Molecular Weight: 321.376
• Hs Code.: 2925290090
• UNII: 4V7M9137X9
• DSSTox Substance ID: DTXSID9048566
• Nikkaji Number: J22.697A
• Wikipedia: Gabexate
• Wikidata: Q5515384
• NCI Thesaurus Code: C76960
• Pharos Ligand ID: 1DV8GGG7HGVK
• Metabolomics Workbench ID: 153740
• ChEMBL ID: CHEMBL87563
• Mol file: 39492-01-8.mol

Synonyms:Foy;Gabexate;Gabexate Mesilate;Gabexate Mesylate;Gabexate Methanesulfonate;Gabexate Monomethanesulfonate;Gabexate Monomethanesulfonate, 14C Labeled Cpd;Gabexate Monomethanesulfonate, 14C-Labeled Cpd;Mesilate, Gabexate;Mesylate, Gabexate;Methanesulfonate, Gabexate;Monomethanesulfonate, Gabexate

Chemical Property of Gabexate

Chemical Property:

• Vapor Pressure: 1.83E-10mmHg at 25°C
• Boiling Point: 508.6 °C at 760 mmHg
• PKA: 13.83±0.70(Predicted)
• Flash Point: 261.4 °C
• PSA: 177.25000
• Density: 1.2g/cm³
• LogP: 3.58790
• Storage Temp.: Desiccate at RT
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 321.16885622
• Heavy Atom Count: 23
• Complexity: 400

Purity/Quality:

98%min ^*data from raw suppliers

Gabexate mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N
• Uses: Gabexate mesylate is used in combination with somatostatin and octreotide in the treatment of severe acute pancreatitis in elderly patients.
• Therapeutic Function: Enzyme inhibitor

Technology Process of Gabexate

There total 1 articles about Gabexate 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: 76.0%

Ethyl 4-hydroxybenzoate (120-47-8) + ε-guanidinocaproic acid (6659-35-4) → p-ethoxycarbonylphenyl 6-guanidinohexanoate (56974-61-9,39492-01-8)

Guidance literature:

With pyridine; 2-chloro-1,3-dimethylimidazolinium chloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/jo990210y

upstream raw materials:

Ethyl 4-hydroxybenzoate

ε-guanidinocaproic acid

Refernces