6533b853fe1ef96bd12abf31
RESEARCH PRODUCT
2-(6-Methoxy-7H-purin-7-yl)-1-phenylethanone monohydrate
Stefan LauferDominik HauserChristian PeiferDieter SchollmeyerStefanie Buehlersubject
MAPK/ERK pathwayPurineHydrogen bondChemistryStereochemistryVascular Endothelial Growth Factor ReceptorRegioselectivityGeneral ChemistryCrystal structureCondensed Matter PhysicsRing (chemistry)chemistry.chemical_compoundGeneral Materials ScienceProtein kinase Adescription
The crystal structure of the title compound, C14H12N4O2·H2O, was determined in the course of our studies of the synthesis and optimization of 7-aryl-7H-purines as inhibitors of the vascular endothelial growth factor receptor (VEGF-R), c-Jun NH2-terminal protein kinase 3 (JNK3) and the p38α mitogen-activated protein kinase (MAPK). In the title compound, two molecules are associated with each other through O—H⋯N hydrogen bonds to different N atoms in the purine ring system. The compound was prepared via a regioselective synthesis using the methyl(aqua)cobaloxime complex, CH3Co(DH)2OH2, as a temporary auxiliary. The X-ray crystallographic results confirmed the regioselective N-7 alkylation of this molecule.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2007-09-26 | Acta Crystallographica Section E Structure Reports Online |