Use of a Ni-SOD mimic compound for the manufacture of an medicament for cancer treatment is provided, which includes providing a Ni-SOD mimic compound and administrating the Ni-SOD compound to a cancer cell. The structure of the Ni-SOD mimic compound is represented as follows: wherein R1 represents H or A-R’； A represents a bond, O or N； L represents acetonitrile, water or t-butyl isocyanate； R’ represents H, unsubstituted or substituted alkyl, polyalkoxy, polydimethylsiloxane, polyurethane or other polymer materials or amino acid groups； R2 represents unsubstituted or substituted alkyl, alkoxy, methoxy, amino, alkylamine or hydrocarbyl groups； R3 represents unsubstituted or substituted amino, alkylamine, oxyalkylamine groups or magnetic nanoparticles attached oxyalkylamine. Ni is bivalent or trivalent.本發明提供一種鎳超氧歧化酶擬態化合物用於製備腫瘤治療藥物的用途，其包含提供鎳超氧歧化酶擬態化合物及施予其至癌症的癌細胞。鎳超氧歧化酶擬態化合物的結構如下所示：其中R1代表H或A-R’；A為鍵結或O或N；L為乙腈、水或異氰酸叔丁酯；R’為H、經取代或未經取代之烷基、聚亞烷氧基、聚二甲基矽氧烷基或聚氨酯等高分子素材或胺基酸基團；R2為經取代或未經取代之烷基、烷氧基、矽氧基、胺基、烷胺基、或烴基；R3為H或選自經取代或未經取代之胺基、烷胺基、矽氧烷胺基、矽氧烷胺基吸附至磁性奈米粒子；且該Ni為二價或三價。
