A 4-anilinoquinazoline derivative （1） designed as a JAK3 inhibitor was synthesized in high yield by a practical and efficient method. The molecular docking study was also performed to elucidate the molecular mechanism of the JAK3 inhibitory potency of compound 1. The results indicated that compound 1 had various interactions with the key amino acid residues at the ATP-binding cavity of JAK3 protein and presented high affinity to JAK3 protein, which was even higher than JANEX-1 and Tasocitinib.
目的用微波辐射法合成7-硝基-4(3H)-喹唑啉酮,研究微波功率、微波辐射时间和酸胺摩尔比等对反应收率的影响。方法以2-氨基-4-硝基苯甲酸、甲酰胺为原料,采用微波辐射合成7-硝基-4(3H)-喹唑啉酮,并通过正交设计实验优化反应条件。结果最佳条件为:微波功率95 W,辐射时间9 m in,酸胺摩尔比1∶12,收率可高达96.8%,与常规加热法比较提高了约35%。结论微波辐射法对合成7-硝基-4(3H)-喹唑啉酮具有非常好的效果,与传统加热方法及文献方法相比,缩短了反应时间,提高了反应速率和收率。
A 4-anilinoquinazoline derivative(1) designed as a JAK3 inhibitor was synthesized in high yield by a practical and efficient method.The molecular docking study was also performed to elucidate the molecular mechanism of the JAK3 inhibitory potency of compound 1.The results indicated that compound 1 had various interactions with the key amino acid residues at the ATP-binding cavity of JAK3 protein and presented high affinity to JAK3 protein,which was even higher than JANEX-1 and Tasocitinib.
