6-Chloropurine riboside

Base Information

• Chemical Name: 6-Chloropurine riboside
• CAS No.: 5399-87-1
• Molecular Formula: C₁₀H₁₁ClN₄O₄
• Molecular Weight: 286.675
• Hs Code.: 29349990
• European Community (EC) Number: 217-904-8
• DSSTox Substance ID: DTXSID001313678
• Nikkaji Number: J217.960A
• Wikidata: Q76009670
• Metabolomics Workbench ID: 68015
• ChEMBL ID: CHEMBL397974
• Mol file: 5399-87-1.mol

Synonyms:6-chloro-9-(beta-D-ribofuranosyl)purine;6-chloropurine riboside;6-chloropurine riboside, (9beta)-(D)-isomer;6-chloropurine riboside, (beta-D)-isomer;ribosyl 6-chloropurine

Chemical Property of 6-Chloropurine riboside

Chemical Property:

• Appearance/Colour: colourless crystalline powder
• Melting Point: 158-162 °C (dec.)(lit.)
• Refractive Index: 1.846
• Boiling Point: 614.8 °C at 760 mmHg
• PKA: 13.06±0.70(Predicted)
• Flash Point: 325.6 °C
• PSA: 113.52000
• Density: 2.03 g/cm³
• LogP: -0.90880
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Sparingly, Heated), Methanol (Slightly, Heated), Water (Slightly, Heated,
• Water Solubility.: Soluble in water. (10.6 mg/mL)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 286.0468825
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

95%min ^*data from raw suppliers

6-Chloropurine riboside 99+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)CO)O)O
• Isomeric SMILES: C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
• Uses: 6-Chloropurine riboside is used to study the kinetics and substrate specificity of adenosine deaminase. 6-Chloropurine riboside is benzoylated to facilitate synthesis of nucleoside derivatives such as 9-(2,3-Di-deoxy-2-fluoro-β-D-threo-pentofuranosyl)adenine. It , especially after phosphorylation to NMP, NDP or NTP, is used as a purine substrate analogue in studies with enzymes such as Inosine monophosphate dehydrogenase (IMPDH); bacteriophage T4 RNA-ligase (EC 6.5.1.3) and pancreatic fibonuclease A. 6-Chloropurine riboside is used to study the kinetics and substrate specificity of adenosine deaminase. 6-Chloropurine riboside is benzoylated to facilitate synthesis of nucleoside derivatives such as 9-(2,3-Di-deoxy-2-fluoro-β-D-threo-pentofuranosyl)adenine. 6-Chloropurine riboside, especially after phosphorylation to NMP, NDP or NTP, is used as a purine substrate analogue in studies with enzymes such as Inosine monophosphate dehydrogenase (IMPDH); bacteriophage T4 RNA-ligase (EC 6.5.1.3) and pancreatic fibonuclease A.

Technology Process of 6-Chloropurine riboside

There total 1 articles about 6-Chloropurine riboside 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:

→ 2-(6-chloropurin-9-yl)-5-hydroxymethyltetrahydrofuran-3,4-diol (2004-06-0,5399-87-1,7596-60-3,23828-03-7)

Guidance literature:

aus Inosin;

Reference yield: 85.0%

2-(6-chloropurin-9-yl)-5-hydroxymethyltetrahydrofuran-3,4-diol (2004-06-0,5399-87-1,7596-60-3,23828-03-7) → 6-thio-inosine (574-25-4,892-49-9,4334-79-6,4988-64-1,7687-43-6,10173-26-9,15639-75-5,22746-58-3,26188-04-5,28069-17-2,122557-20-4)

Guidance literature:

With thiourea; In ethanol; at 50 ℃; for 8h;

Downstream raw materials:

6-thio-inosine

Refernces