3D QSAR studies of long chain quartenary ammonium derivatives as soft anti-bacterial agents was written by Jacob, Blessy;Bisht, Lata K.;Naveen, S.;David, Deena;Antony, Anjana. And the article was included in International Journal of Applied Pharmaceutical and Biological Research in 2016.Synthetic Route of C17H30BrN This article mentions the following:
Quant. structure activity relationship studies have been conducted on a series (19 compounds) of long chain quaternary ammonium derivatives using Chem Office v 8.0 software. The best predictions have been obtained for antibacterial activity (r= 0.9, r2=0.91, Boots strapping r2=0.8). Both equations are validated by a test set of compounds and give satisfactory predictive r2 values of 0.9 resp. The equations selected emphasized the importance of Dipole, Non Vander Wall energy on biol. activity i.e. Dipole moment, and Non VDW energy of mol. might be influencing the selective antibacterial activity. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Synthetic Route of C17H30BrN).
1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Synthetic Route of C17H30BrN