Patamostat mesilate

Base Information

• Chemical Name: Patamostat mesilate
• CAS No.: 114568-32-0
• Molecular Formula: CH₄O₃S*C₂₀H₂₀N₄O₄S
• Molecular Weight: 508.576
• UNII: 4697U796PV
• DSSTox Substance ID: DTXSID50150786
• Wikidata: Q27258915
• Mol file: 114568-32-0.mol

Synonyms:4-(2-succinimidoethylthio)phenyl 4-guanidinobenzoate;E 3123;E-3123;E3123

Chemical Property of Patamostat mesilate

Chemical Property:

• PSA: 213.63000
• LogP: 3.84800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 508.10864146
• Heavy Atom Count: 34
• Complexity: 713

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)O.C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Technology Process of Patamostat mesilate

There total 4 articles about Patamostat mesilate 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:

N-(2-bromoethyl)-succinimide (55943-72-1) → Patamostat mesylate (114568-32-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 20 percent / K₂CO₃ / ethanol / 4 h / Heating

2: pyridine / 16.5 h

3: methanol / Heating

With potassium carbonate; In pyridine; methanol; ethanol;

DOI:10.1248/cpb.37.2855

Reference yield:

4-(2-succinimidoethylthio)phenol (114568-48-8) → Patamostat mesylate (114568-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 16.5 h

2: methanol / Heating

In pyridine; methanol;

DOI:10.1248/cpb.37.2855

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + 4-(2-succinimidoethylthio)phenyl 4-guanidinobenzoate (114568-26-2) → Patamostat mesylate (114568-32-0)

Guidance literature:

In methanol; Heating;

DOI:10.1248/cpb.37.2855

upstream raw materials:

methanesulfonic acid

4-(2-succinimidoethylthio)phenyl 4-guanidinobenzoate

N-(2-bromoethyl)-succinimide

4-(2-succinimidoethylthio)phenol