5069-72-7

Basic information

• Product Name: 6-[(4-methylbenzyl)sulfanyl]-5H-purine
• CAS NO: 5069-72-7
• Molecular Formula: C₁₃H₁₂N₄S
• Molecular Weight: 256.3262
• Mol File: 5069-72-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 412.5°C at 760 mmHg
• Flash Point: 203.3°C
• Density: 1.35g/cm³
• Vapor Pressure: 1.23E-06mmHg at 25°C
• Refractive Index: 1.72
• CAS DataBase Reference: 6-[(4-methylbenzyl)sulfanyl]-5H-purine(CAS DataBase Reference)
• NIST Chemistry Reference: 6-[(4-methylbenzyl)sulfanyl]-5H-purine(5069-72-7)
• EPA Substance Registry System: 6-[(4-methylbenzyl)sulfanyl]-5H-purine(5069-72-7)

Safety Data

• Hazardous Substances Data: 5069-72-7(Hazardous Substances Data)

Upstream product

• 157930-09-1 6-Mercaptopurine 
• 104-81-4 4-Methylbenzyl bromide 

Relevant articles and documents

Synthesis, anti-cancer activity and mechanism study of 6-mercapto-purine derivatives

6-mercaptopurine (6-MP) is the first active metabolite inhibitor shown to suppress cancer cells. The aim of this study is to investigate the bioactivity of 6-MP derivatives and discover new anti-cancer agents. Four 6-mercaptopurine (6-MP) derivatives were synthesized and their anti-cancer activities were analyzed. All of the compounds showed anti-proliferative effects against HepG2 and A2780 cancer cells. Among the synthesized derivatives, 6-((naphthalen-2-ylmethyl)thio)-9H-purine (NMSP) which possessing a β-naphthalene, showed better anti-cancer activity than other compounds, with an IC50 value 6.09μg/mL. NMSP could induce S phase cell cycle arrest and apoptosis in HepG2 cells. Western blot analysis indicated that NMSP induced apoptosis is mitochondria-dependent. The novel 6-MP derivative discovered in this study is a promising drug candidate to be used as an anti-cancer agent.

Antimycobacterial Agents. 1. Thio Analogues of Purine

Thio analogues of purine, pyridine, and pyrimidine were prepared based on the initial activity screening of several analogues of these heterocycles against Mycobacterium tuberculosis (Mtb). Certain 6-thio-substituted purine analogues described herein showed moderate to good inhibitory activity. In particular, two purine analogues 9-(ethylcarboxymethyl)-6-(decylthio)-9H-purine (20) and 9-(ethylcarboxymethyl)-6-(dodecylthio)-9H-purine (21) exhibited MIC values of 1.56 and 0.78 μg/mL respectively against the Mtb H37Rv strain. N9-Substitution apparently enhances the antimycobacterial activity in the purine series described herein.