New hypoglycemic agents selected by molecular topology was written by Calabuig, C.;Anton-Fos, G. M.;Galvez, J.;Garcia-Domenech, R.. And the article was included in International Journal of Pharmaceutics in 2004.Computed Properties of C17H15NO5 The following contents are mentioned in the article:
New compounds showing hypoglycemic activity have been designed through a computer aided method based on quant. structure-activity relationship (QSAR) and mol. connectivity. After calculation of topol. indexes for a set of 89 compounds including active and inactive with regards to hypoglycemic action, linear discriminant anal. was performed so that a useful model to predict such an activity was achieved. Later on, the discriminant model was applied on a huge database so that fourteen compounds were selected as potential new hypoglycemics. From them, just five were finally selected for exptl. test on expected hypoglycemic activity. Among the selected compounds,
4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Computed Properties of C17H15NO5
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics