Determination of Lipophilicity of Allyl Thiosemicarbazide, N1-Thiocarbamylamidrazone Derivatives, and their Cyclic Products by RP-HPLC, RP-TLC, and Theoretical Methods: Effects of Selected Compounds on the CNS of Mice

Autor: Ryszard Świeboda, Mirosław A. Hawrył, Anna Hawrył, Iwona Piątkowska-Chmiel, Anna Chodkowska, Ewa Jagiełło-Wójtowicz, Leokadia Strzemecka, Mariola Herbet
Rok vydání: 2015
Předmět:
Zdroj: Journal of Liquid Chromatography & Related Technologies. 38:1452-1465
ISSN: 1520-572X
1082-6076
DOI: 10.1080/10826076.2015.1050502
Popis: The allyl thiosemicarbazide, N1-thiocarbamylamidrazone derivatives, and the products of their cyclization: the 1,2,4-triazole, 1,3,4-thiadiazole, 1,2,4-triazole[3,4-b]1,3-thiazine, 1,2,4-triazole[3,2-b]1,3-thiazine, 1,3,4-thiadiazole[3,2-a]pyrimidine, 5,6-dihydrothiazolo[2,3-c][1,2,4]triazole, and benzoic acid derivatives have been analyzed by RP-HPLC and RP-TLC methods using the methanol-water mixtures as the mobile phase and the octadecyl stationary phase. The lipophilicity was expressed as the chromatographically derived descriptors: mean of k (mk), mean of logk (mlogk), logkW, S, and ϕ0, scores of k, logk, and RM corresponding to the first principal component. Additionally, the authors propose to introduce a descriptor (logkm) corresponding to the residual specific interactions. Chromatographic parameters of lipophilicity were compared with the partition coefficient (logP) calculated by various softwares (milogP, clogP, AlogPs, AClogP, AlogP, MlogP, KOWWIN, XlogP2, XlogP3). The matrices were created w...
Databáze: OpenAIRE
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