Sonochemical Green Synthesis and In Silico Study of Pyrazolylpyridazine-3-thione Derivatives

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发表日期：

2024年5月1日

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T. A. Gomktsyan,
A. V. Karapetyan,
A. A. Khachatryan,
D. D. Avakyan,
L. S. Hunanyan,
A. S. Vorskanyan,
Y. A. Gharibyan,
T. K. Gharibyan,
S. V. Harutyunyan,
M. V. Dovlatyan,
A. P. Yengoyan,
E. A. Ghazaryan

摘要

Abstract

For the first time, eco-friendly ultrasound-assisted synthesis of a series of S-substituted 6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine-3(2H)-thione derivatives based on 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine was performed. The reaction times, temperatures, and yields of reaction products were compared with MW-assisted and conventional methods. An in silico study to predict the biological activity of the studied compounds was carried out. Physicochemical and pharmacokinetic properties, ADMET properties and bioavailability index were calculated.