Study of local anaesthetics, Part 146: Correlation between local anaesthesia, coded structural information, and chromatographic properties for homologous series of alkoxysubstituted esters of phenylcarbamic acid using a neural network.
RP HPLC capacity factors were used for the characterisation of the lipophilicity of homologous series of o- and m- alkoxy-substituted pyrolidino-, piperidino-, and N-methylpiperazino esters of phenylcarbamic acid. The mathematical method of a neural network was employed for supplementing of the incomplete original data matrix and for smoothing the biological data. The dependencies of the number of carbon atoms in the alkoxy side chain (resp. LC capacity factors) on the surface anaesthesia for the homologous series have parabolic character. The surface anaesthetic activity of the o-alkoxy-substituted derivatives was higher than that of m-alkoxy-substituted derivatives. m-Alkoxy-substituted esters presented maxima of activity at 6 and o-derivatives at 7 carbon atoms in the alkoxy side chain.
Hrobonová
K
K
Department of Analytical Chemistry, Faculty of Chemical Technology, Slovak Technical University, Bratislava, Slovak Republic.
Hatrík
S
S
Lehotay
J
J
Cizmárik
J
J
D000779:Anesthetics, Local / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D002219:Carbamates / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D002851:Chromatography, High Pressure Liquid; D015195:Drug Design; D016571:Neural Networks, Computer; D013329:Structure-Activity Relationship