![Methyl 4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxylate structure](https://static.chemtradehub.com/structs/943/943845-74-7-b7e5.webp "Methyl 4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxylate structure")
Methyl 4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)bicyclo[2.2.2]octane-1-carboxylate
CAS Number:
943845-74-7
Molecular Formula:
C15H25NO4
Insights into the modular design of kinase inhibitors and application to Abl and Axl
Literature Information
Publication Date
2021-11-05
DOI
10.1039/D1MD00296A
Impact Factor
0
Authors
Sameer Phadke, Lluis Lopez-Barcons, Nathalie Vandecan, Zhifen Wu, Taylor K. Johnson, Eric J. Lachacz, Sofia D. Merajver, Matthew B. Soellner
View Original
Abstract
Scaffold hopping is a common strategy for generating kinase inhibitors that bind to the DFG-out inactive conformation. Small structural differences in inhibitor scaffolds can have significant effects on potency and selectivity across the kinome, however, these effects are often not studied in detail. Herein, we outline a design strategy to generate an array of DFG-out conformation inhibitors with three different hinge-binders and two DFG-pocket groups. We studied inhibitor selectivity across a large segment of the kinome and elucidated binding preferences that can be used in scaffold hopping campaigns. Using these analyses, we identified two selective inhibitors that display low nanomolar potency against Axl or wild-type and clinically relevant mutants of Abl.
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Source Journal
Recommended Compounds
2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile
CAS Number:
1246816-57-8
Molecular Formula:
C16H24ClN3
![5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine structure](https://static.chemtradehub.com/structs/122/1227210-33-4-8d64.webp "5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine structure")
5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
CAS Number:
1227210-33-4
Molecular Formula:
C7H12N4
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