Conformational study of 3-acety 1-2, 7, 7-trimethyl-4-phenyl- 1,4,S,6, 7,8-hexahydro-5-quinolone starting from the crystallo­graphics datas

Abstract

1,4-dihydropyridine (1,4-DHPs) are well known compounds as a consequence of their pharmacological profile as calcium channel modulator. The chemical modifications carried out on the DHP ring such as the presence of different substituents have allowed expansion of the structure activity relation­ship and afforded sorne insight into the molecular interactions at the receptor level. The knowledge of stereochemical/conformational requirements far re­quires the study of other related analogues of the DHP ring. As a fact, cyclohexanone ring fused to 1,4-DHP moiety in striking effect on the entry of calcium ions into the intracellular space. And thieno [2,3-b] pyridines show effect as antagonist and have been also used in treatment of epilepsy; Alzheimer's disease and Huntinton's chorea. The crystal structure of 3,5-diacetyl-4-phenyl- 2,6-dimethyl-1,4-dihydropyridine; C20H23N02, member ofthe 1,4-DHP class of calcium antagonist, have been determined. The crystal structure of this com­pound was refined to permit comparison of their DHP ring deformation and acetyl group conformation, molecular features thought to be importan! in de­scribing the structure-activity relationships for this important class of compound.