Estudio teorico de derivados guanidinotiazolicos

ENRIZ R D; E, SAN FABIAN; F MOSCARDO LLORENZ; E.A.JAUREGUI

Journal of the Argentine Chemical Society

ASOCIACIÓN QUÍMICA ARGENTINA

Lugar: Buenos Aires; Año: 1993 vol. 81 p. 431 - 440

0365-0375

A conformational and electronic study using semi-empiricalMNDO-AMJ calculations on tiotidine and its rigid analogues was carriedout. For the calculations, all the possible configurational "isomers respect tothe cyanoguanidine group were taken into account. It was possible to definean «active» conformation with respect to the fiexible geometry of tiotidine.A comparative analysis between imidazole and guanidinothiazolederivatives acting as H2 -ligands suggestes that guanidinothiazole systemcould introduce structural advantages with respect to the imidazole group