53458-23-4

Basic information

• Product Name: 2-chloro-9-(5-chloro-5-deoxypentofuranosyl)-9H-purin-6-amine
• CAS NO: 53458-23-4
• Molecular Formula: C₁₀H₁₁Cl₂N₅O₃
• Molecular Weight: 320.132
• Mol File: 53458-23-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 570.2°C at 760 mmHg
• Flash Point: 298.6°C
• Density: 2.14g/cm³
• Vapor Pressure: 7.69E-14mmHg at 25°C
• Refractive Index: 1.877
• CAS DataBase Reference: 2-chloro-9-(5-chloro-5-deoxypentofuranosyl)-9H-purin-6-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-9-(5-chloro-5-deoxypentofuranosyl)-9H-purin-6-amine(53458-23-4)
• EPA Substance Registry System: 2-chloro-9-(5-chloro-5-deoxypentofuranosyl)-9H-purin-6-amine(53458-23-4)

Safety Data

• Hazardous Substances Data: 53458-23-4(Hazardous Substances Data)

Upstream product

• 1839-18-5 2-chloroadenine 
• 185453-73-0 1,2,3-tri-O-acetyl-5-deoxy-5-chloro-β-D-ribofuranose 

Relevant articles and documents

S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation

A tandem enzymatic strategy to enhance the scope of C-alkylation of small molecules via the in situ formation of S-adenosyl methionine (SAM) cofactor analogues is described. A solvent-exposed channel present in the SAM-forming enzyme SalL tolerates 5′-chloro-5′-deoxyadenosine (ClDA) analogues modified at the 2-position of the adenine nucleobase. Coupling SalL-catalyzed cofactor production with C-(m)ethyl transfer to coumarin substrates catalyzed by the methyltransferase (MTase) NovO forms C-(m)ethylated coumarins in superior yield and greater substrate scope relative to that obtained using cofactors lacking nucleobase modifications. Establishing the molecular determinants that influence C-alkylation provides the basis to develop a late-stage enzymatic platform for the preparation of high value small molecules.