1619240-20-8

Basic information

• Product Name: (1S,2R,3S,4R,5S)-4-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
• Synonyms: (1S,2R,3S,4R,5S)-4-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
• CAS NO: 1619240-20-8
• Molecular Weight: 556.572
• Mol File: 1619240-20-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (1S,2R,3S,4R,5S)-4-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: (1S,2R,3S,4R,5S)-4-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide(1619240-20-8)
• EPA Substance Registry System: (1S,2R,3S,4R,5S)-4-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide(1619240-20-8)

Safety Data

• Hazardous Substances Data: 1619240-20-8(Hazardous Substances Data)

Upstream product

• 1619240-29-7 ethyl (3aR,3bS,4aS,5R,5aS)-5-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxylate 
• 1619240-36-6 (3aR,3bS,4aS,5R,5aS)-5-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-iodo-9H-purin-9-yl)-N,2,2-trimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxamide 
• 1619240-45-7 (3aR,3bS,4aS,5R,5aS)-5-(6-(((1S,2R)-2-(3,4-difluorophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-N,2,2-trimethyltetrahydrocyclopropa[3,4]cyclopenta [1,2-d][1,3]dioxole-3b(3aH)-carboxamide 
• 793695-77-9 (1'S,2'R,3'S,4'R,5'S)-4'-[6-chloro-2-iodopurin-9-yl]-2',3'-isopropylidenebicyclo[3.1.0]hexane-1'-carboxylic acid ethyl ester 
• 1345413-20-8 trans-(1S,2R)-2-(3,4-difluorophenyl)-cyclopropylamine 

Relevant articles and documents

Extended N6 substitution of rigid C2-arylethynyl nucleosides for exploring the role of extracellular loops in ligand recognition at the A 3 adenosine receptor

2-Arylethynyl-(N)-methanocarba adenosine 5′-methyluronamides containing rigid N6-(trans-2-phenylcyclopropyl) and 2-phenylethynyl groups were synthesized as agonists for probing structural features of the A3 adenosine receptor (AR). Radioligand binding confirmed A 3AR selectivity and N6-1S,2R stereoselectivity for one diastereomeric pair. The environment of receptor-bound, conformationally constrained N6 groups was explored by docking to an A3AR homology model, indicating specific hydrophobic interactions with the second extracellular loop able to modulate the affinity profile. 2-Pyridylethynyl derivative 18 was administered orally in mice to reduce chronic neuropathic pain in the chronic constriction injury model.