Ribavirin 5'-triphosphate

Base Information

• Chemical Name: Ribavirin 5'-triphosphate
• CAS No.: 63142-71-2
• Molecular Formula: C₈H₁₅N₄O₁₄P₃
• Molecular Weight: 484.147
• UNII: XA6L2VRY2M
• DSSTox Substance ID: DTXSID10212490
• Nikkaji Number: J1.910.972K
• Wikidata: Q27465138
• ChEMBL ID: CHEMBL398463
• Mol file: 63142-71-2.mol

Synonyms:ribavirin 5'-triphosphate;ribavirin-TP

Chemical Property of Ribavirin 5'-triphosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 178-181°C (dec.)
• Boiling Point: 924.2°C at 760 mmHg
• Flash Point: 512.7°C
• PSA: 312.74000
• Density: 2.66g/cm³
• LogP: -1.96020
• XLogP3: -5.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 483.97976216
• Heavy Atom Count: 29
• Complexity: 761

Purity/Quality:

97% ^*data from raw suppliers

Ribavirin5?-triphosphatesodiumsalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=NN1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N
• Isomeric SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N
• Uses: Ribavirin Triphosphate, is a metabolite of Ribavirin (R414475), a urine nucleoside analog; inhibits inosine monophosphate dehydrogenase (IMPDH). Used as an antiviral agent.

Technology Process of Ribavirin 5'-triphosphate

There total 6 articles about Ribavirin 5'-triphosphate 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: 28.0%

ribavirin (36791-04-5,66510-90-5) → ribavirin 5'-triphosphate (63142-71-2)

Guidance literature:

ribavirin; With Proton Sponge; trichlorophosphate; at 0 ℃;

With tributyl-amine; bis(tri-n-butylammonium) pyrophosphate; In N,N-dimethyl-formamide; at 0 ℃; Further stages.;

DOI:10.1021/jm7009952

Reference yield:

C13H22N5O7P → ribavirin 5'-triphosphate (63142-71-2)

Guidance literature:

With tris(tetra-n-butylammonium) hydrogen pyrophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1021/ol049267j

Reference yield:

1-(β-D-ribofuranosyl-2',3'-O-methoxymethylidene)-1,2,4-triazole-3-carboxamide (727398-97-2) → ribavirin 5'-triphosphate (63142-71-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 810 mg / N-methylimidazole; pyridine / tetrahydrofuran / 24 h / 20 °C

2: DMAP / tetrahydrofuran / 20 °C

3: 180 mg / aq. HCl / acetonitrile / 24 h / 20 °C / pH 2.0

4: H₂ / Pd/alumina / dimethylformamide / 1 h / 20 °C

5: 51 mg / tris(tetra-n-butylammonium) hydrogen pyrophosphate / dimethylformamide / 0.5 h / 20 °C

With pyridine; 1-methyl-1H-imidazole; hydrogenchloride; dmap; hydrogen; tris(tetra-n-butylammonium) hydrogen pyrophosphate; palladium/alumina; palladium; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/ol049267j

upstream raw materials:

ribavirin

1-(β-D-ribofuranosyl-2',3'-O-methoxymethylidene)-1,2,4-triazole-3-carboxamide

(4-Chloro-butyl)-methyl-phosphoramidic acid benzyl ester (2R,3S,4R,5R)-5-(3-carbamoyl-[1,2,4]triazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester

5'-[1-(β-D-ribofuranosyl-2',3'-O-methoxymethylidene)-1,2,4-triazole-3-carboxamide] 1-benzotriazolyl N-methyl-N-(4-chlorobutyl) phosphoramidate

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