97845-74-4

Basic information

• Product Name: 4-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-[(hexanoyloxy)methyl]butyl hexanoate
• CAS NO: 97845-74-4
• Molecular Formula: C₂₂H₃₅N₅O₅
• Molecular Weight: 449.5438
• Mol File: 97845-74-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 646.7°C at 760 mmHg
• Flash Point: 344.9°C
• Density: 1.26g/cm³
• Vapor Pressure: 1.31E-16mmHg at 25°C
• Refractive Index: 1.585
• CAS DataBase Reference: 4-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-[(hexanoyloxy)methyl]butyl hexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-[(hexanoyloxy)methyl]butyl hexanoate(97845-74-4)
• EPA Substance Registry System: 4-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-[(hexanoyloxy)methyl]butyl hexanoate(97845-74-4)

Safety Data

• Hazardous Substances Data: 97845-74-4(Hazardous Substances Data)

Upstream product

• 97845-59-5 2-amino-6-chloro-9-<2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl>purine 
• 97845-58-4 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane 
• 102147-75-1 2,2-dimethyl-5-(2'-hydroxyethyl)-1,3-dioxane 
• 7459-46-3 triethyl 1,1,2-ethanetricarboxylate 
• 39809-25-1 Penciclovir 
• 142-62-1 hexanoic acid 
• 6482-32-2 2-(hydroxymethyl)butane-1,4-diol 

Relevant articles and documents

Synthesis and Antiviral Activity of 9-purines

Alkylation of 2-amino-6-chloropurine with 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane (5) provided 2-amino-6-chloro-9-purine (6) in high yield.This aminochloropurine 6 readily converted to the antiviral acyclonucleoside 9-guanine (1) and to its 6-chloro (10), 6-thio (11), 6-alkoxy (12-17), 6-amino (20), and 6-deoxy (21) purine analogues.The guanine derivative 1 was converted to its xanthine analogue 9.Similarly, alkylation of 6-chloropurine with 5 provided a route to 8, the hypoxanthine analogue of 1.Of these 9-substituted purines, the guanine derivative 1 showed the highest activity against herpes simplex virus types 1 and 2 in cell cultures, and in some tests it was more active than acyclovir, with no evidence of toxicity for the cells.A series of monoesters (30-33) and diesters (24-27, 29) of 1 were prepared, and some of these also showed antiherpes virus activity in cell cultures, the most active ester being the dihexanoate 27.