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首页> 外文期刊>European Journal of Medicinal Chemistry: Chimie Therapeutique >Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole.
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Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole.

机译：氨基苯并噻唑的一些丙-2-烯酰胺基和1-乙酰基吡唑啉衍生物的合成，抗惊厥活性和3D-QSAR研究。

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摘要

A series of 6-substituted-[3-substituted-prop-2-eneamido]benzothiazole 9-32 and 6-substituted-2-[(1-acetyl-5-substituted)-2-pyrazolin-3-yl]aminobenzothiazole 33-56 were synthesized using appropriate synthetic route and evaluated experimentally against maximal electroshock test. Selected compounds were evaluated for neurotoxicity, hepatotoxicity and behavioral study. The most active compound, 6-methyl-2-[(1-acetyl-5-(4-chlorophenyl))-2-pyrazolin-3-yl]aminobenzothiazole 52 exhibited an ED50 of 25.49 micromol/kg, TD50 of 123.87 micromol/kg and high protective index (PI) of 4.86 compared to standard drug phenytoin. The 3D-QSAR analysis was carried out by PHASE program and a statistically reliable model with good predictive power (r2=0.9220, q2=0.8144) was achieved. The 3D-QSAR plots illustrated insights into the structure activity relationship of these compounds which may aids in the design of potent aminobenzothiazole derivatives as anticonvulsant agents.
机译：一系列6-取代-[3-取代-丙-2-烯酰胺基]苯并噻唑9-32和6-取代-2-[[（1-乙酰基-5-取代）-2-吡唑啉-3-基]氨基苯并噻唑33使用适当的合成路线合成了-56，并针对最大电击试验进行了实验评估。评价所选化合物的神经毒性，肝毒性和行为研究。活性最高的化合物6-甲基-2-[（（1-乙酰基-5-（4-氯苯基））-2-吡唑啉-3-基]氨基苯并噻唑52的ED50为25.49 micromol / kg，TD50为123.87 micromol / kg相比标准药物苯妥英钠，kg和4.86的高保护指数（PI）高。通过PHASE程序进行了3D-QSAR分析，并获得了具有良好预测能力（r2 = 0.9220，q2 = 0.8144）的统计可靠模型。 3D-QSAR图解说明了对这些化合物的结构活性关系的了解，这可能有助于设计有效的氨基苯并噻唑衍生物作为抗惊厥药。

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