9-Cyclohexyladenine

Base Information

• Chemical Name: 9-Cyclohexyladenine
• CAS No.: 4235-94-3
• Molecular Formula: C11H15N5
• Molecular Weight: 217.274
• Hs Code.: 2933990090
• NSC Number: 19201
• DSSTox Substance ID: DTXSID20195164
• Nikkaji Number: J308.105B
• Wikidata: Q83068032
• ChEMBL ID: CHEMBL63783
• Mol file: 4235-94-3.mol

Synonyms:9-cyclohexyladenine;SQ 22244;SQ-22244

Chemical Property of 9-Cyclohexyladenine

Chemical Property:

• Vapor Pressure: 3.23E-08mmHg at 25°C
• Boiling Point: 447.9°Cat760mmHg
• Flash Point: 224.7°C
• PSA: 69.62000
• Density: 1.48g/cm³
• LogP: 2.49490
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 217.13274550
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

9-CYCLOHEXYLADENINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C=NC3=C(N=CN=C32)N
• General Description: 9-Cyclohexyladenine is a potent competitive inhibitor of human erythrocyte membrane phosphatidylinositol 4-kinase, exhibiting high inhibitory activity with an apparent Ki value of 3.7 pM. As a 9-substituted adenine derivative, it effectively binds to the ATP site of the enzyme, demonstrating its potential as a cell-penetrating inhibitor for targeting phosphatidylinositol 4-kinase activity.

Technology Process of 9-Cyclohexyladenine

There total 10 articles about 9-Cyclohexyladenine 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: 92.0%

6-chloro-9-cyclohexyl-9H-purine (5452-41-5) → N9-Cyclohexyladenine (4235-94-3)

Guidance literature:

With ammonia; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2009.02.030

Reference yield: 55.0%

2-chloro-9-(2-cyclohexenyl)-9H-adenine (73535-63-4) → 2-chloro-9-cyclohexyl-9H-adenine (80756-33-8) + N9-Cyclohexyladenine (4235-94-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 48h;

DOI:10.1248/cpb.30.2011

Reference yield: 16.0%

N4-cyclohexyl-pyrimidine-4,5,6-triyltriamine; sulfate (109818-04-4) + formamide (77287-34-4,77287-35-5,60100-09-6) → N9-Cyclohexyladenine (4235-94-3)

Guidance literature:

at 230 ℃;

DOI:10.1021/jm00170a005

upstream raw materials:

6-chloro-9-cyclohexyl-9H-purine

N⁴-cyclohexyl-pyrimidine-4,5,6-triyltriamine; sulfate

formamide

2-chloro-9-(2-cyclohexenyl)-9H-adenine

Downstream raw materials:

N⁶-formyl-9-cyclohexyladenine

8-bromo-9-cyclohexyl-9H-adenine

Refernces

Purine Derivatives as Competitive Inhibitors of Human Erythrocyte Membrane Phosphatidylinositol 4-Kinase

10.1021/jm00170a005

The research investigates purine derivatives and analogues as competitive inhibitors of human erythrocyte membrane phosphatidylinositol 4-kinase, with the aim of finding a potent, cell-penetrating inhibitor. The study explores the structural requirements for binding to the ATP site of PI 4-kinase and optimizes inhibitory potency. Key chemicals involved include various purine derivatives such as adenine, 6-substituted purines, 8-substituted adenines, and 9-substituted adenines. The most potent inhibitor synthesized was 9-cyclohexyladenine, with an apparent Ki value of 3.7 pM. Other chemicals like benzoic acid, polyphosphoric acid, and formamide were used in the synthesis of these compounds. The research also involved the use of ATP as the substrate in enzyme assays to determine the inhibitory activities of the synthesized compounds.

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