1417715-75-3

Basic information

• Product Name: 2-(2-bromo-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-3-yl)methyl-4-fluorobenzonitrile
• Synonyms: 2-(2-bromo-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-3-yl)methyl-4-fluorobenzonitrile
• CAS NO: 1417715-75-3
• Molecular Weight: 417.197
• Mol File: 1417715-75-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-(2-bromo-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-3-yl)methyl-4-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-bromo-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-3-yl)methyl-4-fluorobenzonitrile(1417715-75-3)
• EPA Substance Registry System: 2-(2-bromo-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-3-yl)methyl-4-fluorobenzonitrile(1417715-75-3)

Safety Data

• Hazardous Substances Data: 1417715-75-3(Hazardous Substances Data)

Upstream product

• 421552-12-7 2-(bromomethyl)-4-fluorobenzonitrile 
• 1417715-69-5 2-(2-chloro-9-(4-methoxybenzyl)-6-oxo-6,9-dihydro-1H-purin-1-yl)acetonitrile 
• 115204-74-5 2,6-dichloro-9-(4-methoxyphenylmethyl)-9H-purine 
• 1417715-70-8 C₁₇H₁₈N₆O₂ 

Downstream Products

• 1417715-76-4 tert-butyl (R)-(1-(1-(2-cyano-5-fluorobenzyl)-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-2-yl)piperidin-3-yl)carbamate 

Relevant articles and documents

Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes

In our efforts to develop second generation DPP-4 inhibitors, we endeavored to identify distinct structures with long-acting (once weekly) potential. Taking advantage of X-ray cocrystal structures of sitagliptin and other DPP-4 inhibitors, such as alogliptin and linagliptin bound to DPP-4, and aided by molecular modeling, we designed several series of heterocyclic compounds as initial targets. During their synthesis, an unexpected chemical transformation provided a novel tricyclic scaffold that was beyond our original design. Capitalizing on this serendipitous discovery, we have elaborated this scaffold into a very potent and selective DPP-4 inhibitor lead series, as highlighted by compound 17c.