中文摘要：

通过控制反应条件，制备得到1-对甲苯磺酰基-3-羟基-1，5，8-三氮杂环癸烷（2）-根据谱学数据确定目标化合物2的结构，应用DNA熔点温度测量和计算机模拟研究测定化合物2～4与DNA的结合能力．结果显示羟基和对甲苯磺酰基的引入有利于化合物2与DNA的结合．在37℃生理条件作用下，不需要金属离子辅助，大环配体2可使超螺旋型pBR322DNA断裂，同时得到切口开环型和线形DNA．并且，化合物2对肺癌细胞有选择性抑制作用．因此，这种先导化合物可以用于人工核酸酶及抗肿瘤药物设计．

英文摘要：

In this paper, 1-tosyl-3-hydroxyl-l,5,8-triazacyclodecane （2） was prepared in optimized conditions. The structure of title compound 2 was established on the basis of spectroscopic data. The binding of compounds 2, 3, 4 to DNA was investigated with melting temperature measurements and molecular-modeling calculations. The results showed that the introduction of hydroxyl and tosyl groups into triazacyclicamines may enhance the interaction between the compound 2 and DNA. The free macrocyclic ligand 2 could catalyze cleavage supercoiled pBR322 DNA to the nicked and the linear form at the same time at near neutral conditions and 37℃ without any metal ions aid. In addition, compound 2 showed selectively inhibition to lung cancer cells. Thus, this leading compound might be useful as artificial restriction enzymes and may be usefully applied in the development of anti-tumor drug.