380222-94-6

Basic information

• Product Name: 9-{(3AR,4R,6S,6AS)-6-[(ethylamino)carbonyl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-6-[(2,2-diphenylethyl)amino]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide
• Synonyms: 9-{(3AR,4R,6S,6AS)-6-[(ethylamino)carbonyl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-6-[(2,2-diphenylethyl)amino]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide
• CAS NO: 380222-94-6
• Molecular Weight: 817.948
• Mol File: 380222-94-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 9-{(3AR,4R,6S,6AS)-6-[(ethylamino)carbonyl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-6-[(2,2-diphenylethyl)amino]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: 9-{(3AR,4R,6S,6AS)-6-[(ethylamino)carbonyl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-6-[(2,2-diphenylethyl)amino]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide(380222-94-6)
• EPA Substance Registry System: 9-{(3AR,4R,6S,6AS)-6-[(ethylamino)carbonyl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-6-[(2,2-diphenylethyl)amino]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide(380222-94-6)

Safety Data

• Hazardous Substances Data: 380222-94-6(Hazardous Substances Data)

Upstream product

• 5810-56-0 4-(acetylamino)piperidine 
• 50534-23-1 4-acetylamino-1-benzylpiperidine 
• 50541-93-0 4-amino-1-benzylpiperidine 
• 77145-38-1 4-acetamido-1-(pyridin-2-yl)-piperidine 
• 1360054-68-7 C₁₃H₂₅N*C₃₀H₃₂N₆O₆ 
• 380222-90-2 C₃₀H₃₁N₅O₇ 
• 1360054-66-5 N-(2,2-diphenylethyl)-2-(ethoxycarbonyl)-2',3'-O-isopropylidene-adenosine hydrogen sulfate 
• 313345-14-1 ethyl 6-[(2,2-diphenylethyl)amino]-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-carboxylate 
• 264608-14-2 2-chloro-N-(2,2-diphenylethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine 
• 380222-98-0 3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylamine dihydrochloride 
• 380222-42-4 N-(1-(pyridin-2-yl)piperidin-4-yl)-1H-imidazole-1-carboxamide 
• 530-62-1 1,1'-carbonyldiimidazole 

Downstream Products

• 380221-63-6 6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-(2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl)-9H-purine-2-carboxamide 

Relevant articles and documents

Route selection and process development of a multikilogram route to the inhaled A2a agonist UK-432,097

This article describes the selection, process development, and scale-up of a synthetic route to a complex nucleoside analogue, the A2a agonist UK-432,097 (1), that culminated in the manufacture of over 25 kg of the API. The key steps in the process were (1) a stereoselective glycosidation reaction; (2) a scalable bleach-TEMPO oxidation; and (3) an unusual elevated temperature crystallization process for the final API. The problems that were encountered with the scale-up of the route together with how they were overcome are also presented.