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ACS Chem Neurosci ; 8(11): 2374-2380, 2017 11 15.
Artículo en Inglés | MEDLINE | ID: mdl-28841278

RESUMEN

Adamantanyl benzamide 1 was identified as a potent P2X7R antagonist but failed to progress further due to poor metabolic stability. We describe the synthesis and SAR of a series of bioisosteres of benzamide 1 to explore improvements in the pharmacological properties of this lead. Initial efforts investigated a series of heteroaromatic bioisosteres, which demonstrated improved physicochemical properties but reduced P2X7R antagonism. Installation of bioisosteric fluorine on the adamantane bridgeheads was well tolerated and led to a series of bioisosteres with improved physicochemical properties and metabolic stability. Trifluorinated benzamide 34 demonstrated optimal physicochemical parameters, superior metabolic stability (ten times longer than lead benzamide 1), and an improved physicokinetic profile and proved effective in the presence of several known P2X7R polymorphisms.


Asunto(s)
Adamantano/análogos & derivados , Benzamidas/farmacología , Antagonistas del Receptor Purinérgico P2X/farmacología , Receptores Purinérgicos P2X7/efectos de los fármacos , Adamantano/farmacología , Animales , Benzamidas/síntesis química , Benzamidas/química , Benzamidas/farmacocinética , Biotransformación , Evaluación Preclínica de Medicamentos , Estabilidad de Medicamentos , Humanos , Microsomas Hepáticos/metabolismo , Estructura Molecular , Oxidación-Reducción , Polimorfismo de Nucleótido Simple , Antagonistas del Receptor Purinérgico P2X/síntesis química , Antagonistas del Receptor Purinérgico P2X/química , Antagonistas del Receptor Purinérgico P2X/farmacocinética , Ratas , Receptores Purinérgicos P2X7/genética , Relación Estructura-Actividad
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