1379453-58-3

Basic information

• Product Name: 2-benzylthio-6-chloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine
• Synonyms: 2-benzylthio-6-chloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine
• CAS NO: 1379453-58-3
• Molecular Weight: 534.977
• Mol File: 1379453-58-3.mol

Chemical Properties

• CAS DataBase Reference: 2-benzylthio-6-chloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-benzylthio-6-chloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine(1379453-58-3)
• EPA Substance Registry System: 2-benzylthio-6-chloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine(1379453-58-3)

Safety Data

• Hazardous Substances Data: 1379453-58-3(Hazardous Substances Data)

Upstream product

• 6979-94-8 2',3',5'-tri-O-acetyl-guanosine 
• 118-00-3 G 
• 150-60-7 dibenzyl disulphide 
• 16321-99-6 2-amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine 

Downstream Products

• 1379453-78-7 2-benzylthio-N₆-phenethyladenosine 

Relevant articles and documents

Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA

Abstact: —In this study, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), and the self-organizing molecular field analysis (SOMFA) were performed on a series of novel adenosine derivatives. Significant correlation coefficients (CoMFA, q2 = 0.560, r2 = 0.940, F value = 71.850, and SEE = 0.097; CoMSIA, q2 = 0.528, r2 = 0.943, F value = 29.29 and SEE = 0.108; SOMFA, r2 = 0.615, r2cr= 0.577, F value = 60.797, and SEE = 0.226) were obtained, and the generated models were validated using test sets. By analyzing the corresponding contour maps in detail, new adenosine derivatives with potential efficacy were designed for synthesis in the future.

Synthesis of N6-alkyl(aryl)-2-alkyl(aryl)thioadenosines as antiplatelet agents

A series of novel N6-alkyl(aryl)-2-alkyl(aryl)thioadenosines were synthesized, and their human antiplatelet aggregation activities were evaluated by the stimulation of adenosine 5′-diphosphate (ADP). Some of these compounds showed strong activity, among which compound 5b11 displayed the highest activity with an IC50 value of 29 ± 3 μM. Furthermore, five compounds were tested against arachidonic acid (AA)-induced human platelet aggregation. The results showed that compound 5b10 exhibited the highest activity with an IC50 value of 3 ± 2 μM. The adenosine derivatives substituted with a phenethyl group at the N6 position and a methylthio or ethylthio group at the C-2 position displayed high antiplatelet aggregation activity.