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839708-29-1

839708-29-1 Structure

839708-29-1 Structure
IdentificationBack Directory
[Name]

Benzamide, N-[3-(7-amino-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-
[CAS]

839708-29-1
[Synonyms]

GNF-6
Benzamide, N-[3-(7-amino-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-
[Molecular Formula]

C22H19F3N6O2
[MOL File]

839708-29-1.mol
[Molecular Weight]

456.42
Chemical PropertiesBack Directory
[density ]

1.442±0.06 g/cm3(Predicted)
[pka]

12.82±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

GNF-6 (Compound 14) inhibits the gatekeeper threonine residue mutation of BCR-ABL-T315I with IC50s of 0.25 μM, 0.09 μM and 0.590 μM for c-ABL-T334I, BCR-ABL and BCR-ABL-T315I variants, respectively. GNF-6, an ATP competitive inhibitor, disrupts the assembly of the hydrophobic spine (a network of hydrophobic interactions), thereby locking the kinase in an inactive ‘DFG-out’ conformation[1].
[References]

[1] David F. Woodward, et al. Non-acidic cyclopentane heptanoic acid, 2-cycloalkyl or arylalkyl derivatives as therapeutic agents. WO1994006433A1. DOI:10.1038/nsmb.1486
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