31504-19-5

Basic information

• Product Name: 1-benzyl-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one
• CAS NO: 31504-19-5
• Molecular Formula: C₁₇H₁₈N₄O₅
• Molecular Weight: 358.3486
• Mol File: 31504-19-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 747.1°C at 760 mmHg
• Flash Point: 405.6°C
• Density: 1.63g/cm³
• Vapor Pressure: 1.91E-23mmHg at 25°C
• Refractive Index: 1.754
• CAS DataBase Reference: 1-benzyl-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one(31504-19-5)
• EPA Substance Registry System: 1-benzyl-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one(31504-19-5)

Safety Data

• Hazardous Substances Data: 31504-19-5(Hazardous Substances Data)

Usage

Chemical class

Purine derivative

Structure

Benzyl group attached to the 1-position and a pentofuranosyl group attached to the 9-position of the purine ring

Analog

Synthetic analog of adenosine

Biological and pharmacological activities

Studied for potential applications

Synthesis

Key intermediate in the synthesis of nucleoside analogs and other bioactive compounds

Significance

Important molecule in medicinal chemistry and drug development

Upstream product

• 100-44-7 benzyl chloride 
• 58-63-9 Inosine 
• 2016-04-8 N,N-dimethylformamide dibenzyl acetal 
• 924887-45-6 1-(2,4-dinitrophenyl)inosine 
• 100-46-9 benzylamine 
• 58-63-9 inosine 

Downstream Products

• 7074-59-1 1-benzyl-1,7⁽⁹⁾-dihydro-purin-6-one 
• 20735-74-4 5-amino-1-(β-D-ribofuranosyl)imidazole-4-(N-benzyl)carboxamide 
• 99236-78-9 1-benzyl-5'-O-tert-butyldimethysilylinosine 
• 99051-98-6 1-benzyl-6-oxo-9-<(2R,6R)-6-hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl>-9H-purine 
• 99236-82-5 1-benzyl-6-oxo-9-<(2R,6R)-6-tertbutyldimethylsilyloxymethyl-1-oxa-4-thiacyclohexane-2-yl>-9H-purine 
• 99236-80-3 1-Benzyl-9-{(S)-1-[(R)-2-(tert-butyl-dimethyl-silanyloxy)-1-hydroxymethyl-ethoxy]-2-hydroxy-ethyl}-1,9-dihydro-purin-6-one 
• 99236-81-4 Toluene-4-sulfonic acid (R)-2-(1-benzyl-6-oxo-1,6-dihydro-purin-9-yl)-2-[(S)-2-(tert-butyl-dimethyl-silanyloxy)-1-hydroxymethyl-ethoxy]-ethyl ester 
• 2627-69-2 AICA riboside 
• 7026-47-3 1-benzyl-2',3'-O-isopropylideneinosine 

Relevant articles and documents

Synthesis of 4-N-alkyl and ribose-modified AICAR analogues on solid support

Herein, we report the solid-phase synthesis of several 5-aminoimidazole-4-(N-alkyl)carboxamide-1-ribosides (4-N-alkyl AICARs) and the corresponding 2′,3′-secoriboside derivatives. The method uses the N-1-dinitrophenyl-inosine 5′-bonded to a solid support.

METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT

The present invention provides methods, compositions, formulations, and kits related to acadesine, or a prodrug, analog, or salt thereof, and/or a blood clotting inhibitor for preventing or reducing adverse side effects in a patient. The type of patient that may benefit includes a patient with decreased left ventricular function, a patient with a prior myocardial infarction, a patient undergoing non-vascular surgery, or a fetus during labor and delivery.

Conformational restraint is a critical determinant of unnatural nucleotide recognition by protein kinases

This report describes the synthesis of N4-(benzyl) AICAR triphosphate, a conformationally restrained analogue of N4-(benzyl) ribavirin triphosphate. Both of these nucleotides were evaluated as phosphodonors for wild-type p38 MAP kina