Pradefovir Mesylate

Base Information

• Chemical Name: Pradefovir Mesylate
• CAS No.: 625095-61-6
• Molecular Formula: CH₄O₃S*C₁₇H₁₉ClN₅O₄P
• Molecular Weight: 519.903
• UNII: 0D5204ZSIX
• DSSTox Substance ID: DTXSID00211558
• Wikidata: Q27095685
• NCI Thesaurus Code: C66454
• Metabolomics Workbench ID: 149490
• ChEMBL ID: CHEMBL3989658
• Mol file: 625095-61-6.mol

Synonyms:hepavir-B;ICN 2001-3;ICN-2001-3;ICN2001-3;MB 06866;MB-06866;MB-6866;MB06866;pradefovir;pradefovir mesylate;remofovir;remofovir mesylate

Chemical Property of Pradefovir Mesylate

Chemical Property:

• Vapor Pressure: 9.18E-17mmHg at 25°C
• Boiling Point: 649.7°C at 760 mmHg
• Flash Point: 346.7°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 519.0744340
• Heavy Atom Count: 33
• Complexity: 668

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.C1COP(=O)(OC1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N
• Isomeric SMILES: CS(=O)(=O)O.C1CO[P@@](=O)(O[C@@H]1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N
• Recent ClinicalTrials: Open-label Treatment Extension Study for Patients Who Complete Study RNA200103-201

Technology Process of Pradefovir Mesylate

There total 4 articles about Pradefovir Mesylate 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: 51.9%

methanesulfonic acid (75-75-2,98527-29-8) + (+)-cis-9-{2-[4-(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-methyleneoxy]eth-1-yl}adenine (625095-60-5) → 9-{2-[2,4-cis-(S)-(+)-4-(3'-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]metboxyethyl}adenine methanesulfonate (625095-61-6)

Guidance literature:

In ethanol;

Reference yield:

C17H19ClN5O4P (625095-66-1) + methanesulfonic acid (75-75-2,98527-29-8) + (+)-cis-9-{2-[4-(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-methyleneoxy]eth-1-yl}adenine (625095-60-5) → CH4O3S*C17H19ClN5O4P (632327-16-3,625095-61-6) + 9-{2-[2,4-cis-(S)-(+)-4-(3'-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]metboxyethyl}adenine methanesulfonate (625095-61-6)

Guidance literature:

In ethanol; at 0 - 78 ℃; for 5h;

Reference yield:

C17H19ClN5O4P (625095-66-1) + methanesulfonic acid (75-75-2,98527-29-8) + (+)-cis-9-{2-[4-(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-methyleneoxy]eth-1-yl}adenine (625095-60-5) → CH4O3S*C17H19ClN5O4P (632327-16-3,625095-61-6) + 9-{2-[2,4-cis-(S)-(+)-4-(3'-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-yl]metboxyethyl}adenine methanesulfonate (625095-61-6)

Guidance literature:

In ethanol; at 0 - 78 ℃; for 5h;

upstream raw materials:

C₁₇H₁₉ClN₅O₄P

methanesulfonic acid

(+)-cis-9-{2-[4-(S)-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphorinan-2-methyleneoxy]eth-1-yl}adenine

Refernces

• 1、 -. "Novel phosphonic acid based prodrugs of PMEA and its analogues". Page 23. . Retrieved 2010/11/30.