686768-11-6

Basic information

• Product Name: Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[6-chloro-2-(4-cyclohexyl-butyrylamino)-purin-9-yl]-tetrahydro-furan-3-yl ester
• CAS NO: 686768-11-6
• Molecular Weight: 580.038
• Mol File: 686768-11-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[6-chloro-2-(4-cyclohexyl-butyrylamino)-purin-9-yl]-tetrahydro-furan-3-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[6-chloro-2-(4-cyclohexyl-butyrylamino)-purin-9-yl]-tetrahydro-furan-3-yl ester(686768-11-6)
• EPA Substance Registry System: Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[6-chloro-2-(4-cyclohexyl-butyrylamino)-purin-9-yl]-tetrahydro-furan-3-yl ester(686768-11-6)

Safety Data

• Hazardous Substances Data: 686768-11-6(Hazardous Substances Data)

Upstream product

• 16321-99-6 2-amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine 
• 4441-67-2 4-cyclohexylbutyryl chloride 
• 6979-94-8 2',3',5'-tri-O-acetyl-guanosine 

Relevant articles and documents

2-(N-Acyl) and 2-N-acyl-N6-substituted analogues of adenosine and their affinity at the human adenosine receptors

A series of 2-(N-acyl) and 2-(N-acyl)-N6-alkyladenosine analogues have been synthesized from the intermediate 2-amino-6-chloroadenosine derivatives (2b and 7) and evaluated for their affinity at the human A 1, A2A, and A3 receptors. We found that 2-(N-acyl) derivatives of adenosine showed relatively low affinity at A 2A and A3 receptors, while the N6-cyclopentyl substituent in 4h and 4i induced high potency [A1 (K i)=20.7 and 31.8 nM respectively] at the A1 receptor and resulted therefore in increased selectivity for this subtype. The general synthetic methods and their binding studies are presented herein.