New nucleoside derivatives with nitrogen substitution at the C-6 position were prepared and screened initially for their in vitro anticancer bioactivity against human epithelial cancer cells (liver Huh7, colon HCT116, breast MCF7) by the NCI-sulforhodamine B assay. N⁶-(4-trifluoromethylphenyl)piperazine analog (27) exhibited promising cytotoxic activity. The compound 27 was more cytotoxic (IC₅₀ = 1–4 μM) than 5-FU, fludarabine on Huh7, HCT116 and MCF7 cell lines. The most potent nucleosides (11, 13, 16, 18, 19, 21, 27, 28) were further screened for their cytotoxicity in hepatocellular cancer cell lines. The compound 27 demonstrated the highest cytotoxic activity against Huh7, Mahlavu and FOCUS cells (IC₅₀ = 1, 3 and 1 μM respectively). Physicochemical properties, drug-likeness, and drug score profiles of the molecules showed that they are estimated to be orally bioavailable. The results pointed that the novel derivatives would be potential drug candidates.

制备了在C-6位置具有氮取代的新核苷衍生物，并通过NCI-磺胺丁丹B试验初步筛选了它们对人上皮癌细胞（肝Huh7，结肠HCT116，乳腺MCF7）的体外抗癌生物活性。N ^6-（4-三氟甲基苯基）哌嗪类似物（27）表现出有希望的细胞毒性活性。 在Huh7，HCT116和MCF7细胞系上，化合物27比5-FU，氟达拉滨具有更高的细胞毒性（IC ₅₀ = 1-4μM）。最有效的核苷（11，13，16，18，19，21，27，（28）进一步筛选了它们在肝细胞癌细胞系中的细胞毒性。化合物27对Huh7，Mahlavu和FOCUS细胞表现出最高的细胞毒活性（IC ₅₀ 分别为1、3和1μM）。分子的理化性质，药物相似性和药物得分曲线表明，它们被认为具有口服生物利用度。结果表明，新型衍生物将是潜在的药物候选物。