Lefradafiban

Base Information

• Chemical Name: Lefradafiban
• CAS No.: 149503-79-7
• Molecular Formula: C₂₃H₂₅N₃O₆
• Molecular Weight: 439.468
• DSSTox Substance ID: DTXSID80164331
• Metabolomics Workbench ID: 61216
• ChEMBL ID: CHEMBL2105032
• Mol file: 149503-79-7.mol

Synonyms:5-((((4'-(imino(methoxycarbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-pyrrolidineacetic acid, methyl ester;lefradafiban

Chemical Property of Lefradafiban

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 132.80000
• Density: 1.32g/cm³
• LogP: 3.24810
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 439.17433553
• Heavy Atom Count: 32
• Complexity: 696

Purity/Quality:

95% ^*data from raw suppliers

LEFRADAFIBAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=NC(=O)OC)N
• Isomeric SMILES: COC(=O)C[C@@H]1C[C@H](NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)/C(=N/C(=O)OC)/N
• Recent ClinicalTrials: Influence of Pantoprazole on the Pharmacokinetics of Fradafiban After Multiple Oral Doses of Lefradafiban Over 5 Days in Healthy Subjects

Technology Process of Lefradafiban

There total 2 articles about Lefradafiban 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:

(3S,5S)-5-[(4'-amidino-4-biphenylyl)oxymethyl]-3-[(methoxycarbonyl)methyl]-2pyrrolidinone hydrochloride (153525-80-5) + methyl chloroformate (79-22-1) → Lefradafiban (149503-79-7)

Guidance literature:

With sodium hydroxide; In methanol; dichloromethane; ethyl acetate;

Reference yield:

→ Lefradafiban (149503-79-7)

Guidance literature:

upstream raw materials:

(3S,5S)-5-[(4'-amidino-4-biphenylyl)oxymethyl]-3-[(methoxycarbonyl)methyl]-2pyrrolidinone hydrochloride

methyl chloroformate