Apafant

Base Information

• Chemical Name: Apafant
• CAS No.: 105219-56-5
• Molecular Formula: C22H22 Cl N5 O2 S
• Molecular Weight: 455.968
• European Community (EC) Number: 692-443-7
• UNII: J613NI05SV
• DSSTox Substance ID: DTXSID5048974
• Nikkaji Number: J240.205J
• Wikipedia: Apafant
• Wikidata: Q27074478
• NCI Thesaurus Code: C77989
• Pharos Ligand ID: 2XAV2DB4N6TP
• ChEMBL ID: CHEMBL280164
• Mol file: 105219-56-5.mol

Synonyms:3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone;apafant;triazolodiazepine;WEB 2086;WEB-2086;WEB2086

Chemical Property of Apafant

Chemical Property:

• Vapor Pressure: 1.36E-20mmHg at 25°C
• Melting Point: 186-188°C
• Boiling Point: 720.2°Cat760mmHg
• PKA: 2.36±0.40(Predicted)
• Flash Point: 389.4°C
• PSA: 100.85000
• Density: 1.48
• LogP: 2.80650
• Storage Temp.: Desiccate at +4°C
• Solubility.: DMSO: soluble10mg/mL (clear solution)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 455.1182738
• Heavy Atom Count: 31
• Complexity: 691

Purity/Quality:

97% ^*data from raw suppliers

WEB 2086 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl
• Description: WEB-2086 (105219-56-5) is a potent and selective antagonist of the platelet activating factor (PAF) receptor (Ki = 16.3 nM).1?Displays an activity profile which includes antiinflammatory, antiangiogenesis and anticancer activity.2?Along with leukotriene antagonists, WEB-2086 cooperatively provides a robust antiinflammatory effect regulating PMNL migration and edema formation.3?Displays analgesic effects in animal models of neuropathic pain.4?Active in vivo.
• Uses: Platelet activating factor (PAF) antagonist. Tool to evaluate the role of PAF in experimental models of human disease.

Technology Process of Apafant

There total 2 articles about Apafant 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:

→ WEB 2086 (105219-56-5)

Guidance literature:

Reference yield:

→ N,N-dicyclohexylurea (64407-57-4) + WEB 2086 (105219-56-5)

Guidance literature: