Fidexaban

Base Information

• Chemical Name: Fidexaban
• CAS No.: 183305-24-0
• Molecular Formula: C25H24F2N6O5
• Molecular Weight: 526.4921
• UNII: 10NHF3008V
• Nikkaji Number: J1.006.239J
• Wikidata: Q27251148
• NCI Thesaurus Code: C81461
• Pharos Ligand ID: 27L3CGGSTFYD
• ChEMBL ID: CHEMBL73193
• Mol file: 183305-24-0.mol

Synonyms:CI-1031;Fidexaban;N-(2-(5-(amino(imino)methyl)-2-hydroxyphenoxy)-3,5-difluoro-6-(3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy)pyridin-4-yl)-N-methylglycine;ZK 807834;ZK-807834

Chemical Property of Fidexaban

Chemical Property:

• Vapor Pressure: 5.15E-17mmHg at 25°C
• Refractive Index: 1.664
• Boiling Point: 635.4 °C at 760 mmHg
• PKA: 3.25±0.10(Predicted)
• Flash Point: 338.1 °C
• PSA: 156.60000
• Density: 1.51 g/cm³
• LogP: 2.66960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 526.17762421
• Heavy Atom Count: 38
• Complexity: 883

Purity/Quality:

98%Min ^*data from raw suppliers

Fidexaban ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)N(C)CC(=O)O)F)OC4=C(C=CC(=C4)C(=N)N)O
• Uses: A direct inhibitor of factor Xa (FXa); anticoagulant. It has been shown to reduce ex-vivo arterial thrombus formation and factor-X activity in a dose-dependent manner.

Technology Process of Fidexaban

There total 4 articles about Fidexaban 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:

({2-(5-Cyano-2-hydroxy-phenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-phenoxy]-pyridin-4-yl}-methyl-amino)-acetic acid → Fidexaban (183305-24-0)

Guidance literature:

With hydrogenchloride; ammonia; Multistep reaction; 1.) EtOH;

DOI:10.1021/jm980280h

Reference yield:

3,4-dihydroxybenzonitrile (17345-61-8) → Fidexaban (183305-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) K₂CO₃, 2.) K₂CO₃

2: 1.) HCl, 2.) NH₃ / 1.) EtOH

With hydrogenchloride; ammonia; potassium carbonate;

DOI:10.1021/jm980280h

Reference yield:

3-(1-methyl-1H-imidazol-2-yl)phenol → Fidexaban (183305-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) K₂CO₃, 2.) K₂CO₃

2: 1.) HCl, 2.) NH₃ / 1.) EtOH

With hydrogenchloride; ammonia; potassium carbonate;

DOI:10.1021/jm980280h

upstream raw materials:

3,4-dihydroxybenzonitrile

Refernces

• 1、 -. "Benzamidine derivatives and their use as anti-coagulants". . . Retrieved 2008/06/13.