4,7-二甲基香豆素的合成及潜在靶标

Synthesis of 4,7-Dimethylcoumarin and Its Potential Drug Target

摘要: 为优化合成4，7-二甲基香豆素的最佳反应条件、激发潜在药物靶标，以间甲酚和乙酰乙酸乙酯为原料，二氯甲烷为溶剂，硫酸为催化剂，采用Pechmann缩合反应合成4，7-二甲基香豆素。利用Discovery Studio软件对4，7-二甲基香豆素进行潜在药物作用靶标模拟研究。用正交实验法确定了4，7-二甲基香豆素的较优反应条件为：硫酸与间甲酚质量比为2.5，反应温度为20℃，二氯甲烷与间甲酚体积质量比为15 mL/g时，4，7-二甲基香豆素摩尔收率为63.9%。4，7-二甲基香豆素的潜在靶标可能为糖原合成酶激酶-3β。

Abstract: To optimize reaction condition of 4,7-dimethylcoumarin synthesis and stimulate its potential target, taking m-cresol and ethyl acetoacetate as starting materials, dichloromethane as solvent, sulfuric acid as catalyst, 4, 7-dimethylcoumarin was synthesized by pechmann reaction.With the aid of software Discovery Studio, the potential drug target of the compound was stimulated. The preferred reaction condition was obtained by the orthogonal experiment, that is reaction temperature of 20℃,the mass ratio of sulfuric acid to m-cresol of 2.5, the volumeto-mass ratio of dichloromethane to m-cresol of 15 mL/g, the mole yield of reaction of 63.9%. And the potential drug target of the compound is problely glycogen synthetase kinase 3β.