0000000000971278

AUTHOR

Simona Margutti

showing 2 related works from this author

4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one

2008

The crystal structure of the title compound, C15H11FN2O3, was determined as part of a study on the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The dihedral angles between rings are isoxazole/benzene = 55.0 (3)°, isoxazole/pyridine = 33.8 (2)° and benzene/pyridine = 58.1 (2)°.

Biological activityGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsOrganic PapersMedicinal chemistrylcsh:Chemistrychemistry.chemical_compoundlcsh:QD1-999chemistryPyridineGeneral Materials ScienceIsoxazoleBenzeneProtein kinase AActa Crystallographica Section E Structure Reports Online
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4-[4-(4-Fluoro-phen-yl)-2-methyl-5-oxo-2,5-dihydro-isoxazol-3-yl]-1-methyl-pyridinium iodide-4-[3-(4-fluoro-phen-yl)-2-methyl-5-oxo-2,5-dihydro-isoxa…

2007

The crystal structure of the title compound, C(16)H(16)FN(2)O(2) (+)·I(-), was determined as part of a study of the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The X-ray crystal structure of 4-[4-(4-fluoro-phenyl)-2-methyl-5-oxo-2,5-dihydro-isoxazol-3-yl]-1-methyl-pyridinium iodide showed the presence of the regioisomer 4-[3-(4-fluoro-phenyl)-2-methyl-5-oxo-2,5-dihydro-isoxazol-4-yl]-1-methyl-pyridinium iodide. The synthesis of the former compound was achieved by reacting 4-(4-fluoro-phenyl)-3-(4-pyridyl)isoxazol-5(2H)-one after treatment with Et(3)N in dimethyl-formamide, with iodo-methane. The unexpected formation of the regioi…

chemistry.chemical_classificationIodideBiological activityGeneral ChemistryCrystal structureDihedral angleAziridineCondensed Matter PhysicsBioinformaticsMedicinal chemistryOrganic Paperschemistry.chemical_compoundchemistryStructural isomerGeneral Materials SciencePyridiniumAfter treatmentActa crystallographica. Section E, Structure reports online
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