6-Methylthiopurine 5'-monophosphate ribonucleotide

Base Information

• Chemical Name: 6-Methylthiopurine 5'-monophosphate ribonucleotide
• CAS No.: 7021-52-5
• Molecular Formula: C₁₁H₁₅N₄O₇PS
• Molecular Weight: 378.302
• Nikkaji Number: J437.666H
• Wikidata: Q27149655
• Mol file: 7021-52-5.mol

Synonyms:6-Methylthiopurine 5'-monophosphate ribonucleotide;6-Methylthioinosine-5'-monophosphate;S-methylthioinosine monophosphate;CHEBI:80609;Q27149655

Chemical Property of 6-Methylthiopurine 5'-monophosphate ribonucleotide

Chemical Property:

• Vapor Pressure: 8.44E-28mmHg at 25°C
• Boiling Point: 811.1°C at 760 mmHg
• PKA: 1.86±0.10(Predicted)
• Flash Point: 444.3°C
• PSA: 195.16000
• Density: 2.14g/cm³
• LogP: -0.72330
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 378.03990700
• Heavy Atom Count: 24
• Complexity: 499

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
• Isomeric SMILES: CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
• Uses: 6-Methylthiopurine Ribonucleotide is used for the Assessment of Thiopurine Methyltransferase and Metabolite Formation During Thiopurine Therapy.

Technology Process of 6-Methylthiopurine 5'-monophosphate ribonucleotide

There total 2 articles about 6-Methylthiopurine 5'-monophosphate ribonucleotide 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:

{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid (53-83-8) + S-(5′-adenosyl)-L-methionine chloride → methylthioinosine monophosphate (7021-52-5)

Guidance literature:

With human thiopurine S-methyltransferase expressed in yeast; tris hydrochloride; at 21.5 ℃; for 1h; pH=7.4; Enzyme kinetics; Enzymatic reaction;

Reference yield:

→ methylthioinosine monophosphate (7021-52-5)

Guidance literature:

analog der entspr. 6-Mercapto-Verb. (ueber das mit 60percent Ausb. erhaltene Barium-Salz in 85percent-ig. Reinheit isoliert);

upstream raw materials:

{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

Refernces

• 1、 Krynetski, Eugene Y.,Krynetskaia, Natalia F.,Yanishevski, Yuri,Evans, William E.. "Methylation of mercaptopurine, thioguanine, and their nucleotide metabolites by heterologously expressed human thiopurine S-methyltransferase". . p. 1141 - 1147. Retrieved 2007/10/03.