根据咪唑四嗪酮类抗癌药物构效关系研究结果 ,以替莫唑胺和米托唑胺为先导化合物 ,设计合成了 1 0个 3 取代 4 氧 3H 咪唑并 [5 ,1 d][1 ,2 ,3 ,5 ]四嗪 8 羧酸及其衍生物。以 4 氨基咪唑 5 甲酰胺盐酸盐为起始原料 ,经酰化、重氮化环合得到咪唑四嗪酮环 ,再经 3位和 8位官能团转化 ,得到目标化合物。其中 5个目标化合物未见文献报道 ,其结构均经红外光谱、核磁共振氢谱和元素分析等数据证实。经体外抗癌活性筛选 ,3个化合物表现出良好的抗癌活性。 According to the structure-activity relationship of imidazotetrazone anticancer drugs, 10 tera-substituted 4-oxo-3H-imidazoles [5, 1 d] [1, 2] were designed and synthesized with temozolomide and mitoxanil as the lead compounds. 3, 5] tetrazine 8 carboxylic acid and its derivatives. 4 aminoimidazole 5 formamide hydrochloride as the starting material, acylation, diazotization ring to give imidazotetrazin ring, and then by 3 and 8 functional groups to obtain the target compound. Five of the target compounds were not reported in the literature, and their structures were confirmed by IR, 1H NMR and elemental analysis. After in vitro anti-cancer activity screening, three compounds showed good anticancer activity.