HETEROCYCLES 40. THE LIPOPHILICITY EVALUATION OF SOME
NEW PYRIDIN-3/4-YL-THIAZOLO[3,2-B][1,2,4]TRIAZOLE
COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY BY RP-TLC
AND COMPUTATIONAL METHODS
ALEXANDRA TOMA, DENISA LEONTE, VALENTIN ZAHARIA*
Department of Organic Chemistry, “Iuliu Haţieganu” University of Medicine and Pharmacy, 41 Victor Babeş Street, Ro-
400012, Cluj-Napoca, Romania
*corresponding author: vzaharia@umfcluj.ro
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Abstract:
A series of new pyridin-3/4-yl-thiazolo[3,2-b][1,2,4]triazole compounds and their corresponding thioetheric intermediates
with anti-inflammatory activity were evaluated in order to establish their lipophilic profile by reversed phase thin layer
chromatography (RP-TLC). The lipophilicity parameters were determined experimentally, based on the chromatographic data
(RM, RM0, b, mRM, φ0, PC1/RM). A series of theoretical lipophilicity indices were estimated with different computational
methods. A good correlation was observed between the experimental lipophilicity parameters and the computed logP values
(R2 > ± 0.83). The scores obtained by applying the principal components analysis (PCA) classify the investigated compounds
into three groups, their repartition being correlated with the chemical structure and the anti-inflammatory activity.

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