36965-96-5

Basic information

• Product Name: (2R,3R,4S,5R)-2-[6-(butylsulfanylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
• Synonyms: adenosine, N-(butylthio)-; N-(Butylsulfanyl)adenosine
• CAS NO: 36965-96-5
• Molecular Formula: C₁₄H₂₁N₅O₄S
• Molecular Weight: 355.4126
• Mol File: 36965-96-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 648.8°C at 760 mmHg
• Flash Point: 346.2°C
• Density: 1.66g/cm³
• Vapor Pressure: 1.02E-17mmHg at 25°C
• Refractive Index: 1.749
• CAS DataBase Reference: (2R,3R,4S,5R)-2-[6-(butylsulfanylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,3R,4S,5R)-2-[6-(butylsulfanylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(36965-96-5)
• EPA Substance Registry System: (2R,3R,4S,5R)-2-[6-(butylsulfanylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(36965-96-5)

Safety Data

• Hazardous Substances Data: 36965-96-5(Hazardous Substances Data)

Upstream product

• 109-79-5 n-butanethiol 
• 146-77-0 2-Chloroadenosine 
• 43157-50-2 2-Mercaptoadenosine 
• 109-65-9 1-bromo-butane 

Relevant articles and documents

Discovery of bacterial NAD+-dependent DNA ligase inhibitors: Optimization of antibacterial activity

Optimization of adenosine analog inhibitors of bacterial NAD +-dependent DNA ligase is discussed. Antibacterial activity against Streptococcus pneumoniae and Staphylococcus aureus was improved by modification of the 2-position substituent on the adenine ring and 3′- and 5′-substituents on the ribose. Compounds with log D values 1.5-2.5 maximized potency and maintained drug-like physical properties.