Data from: Synthesis of gypsogenin derivatives with capabilities to arrest cell cycle and induce apoptosis in human cancer cells

Thirty-two gypsogenin derivatives were synthesized and screened for their cytotoxic activities. Their structures were established using IR, 1H NMR, 13C NMR, and LC-MS spectroscopic data. In MTT assays nearly all the compounds displayed good cytotoxicity in the low μM range for several human tumour cell lines (A549, LOVO, SKOV3 and HepG2). Low IC50 values were obtained especially for the carboxamides 7a–7j, for an oxime derivative 3 and a (2,4-dinitrophenyl)hydrazono derivative 4. In particular, the IC50 values of compounds 4 (IC50 = 2.97 ± 1.13 µΜ) and 7 g (IC50 = 3.59 ± 2.04 µΜ) against LOVO cells were found to be much lower than those of the other derivatives and parent compound. These compounds were submitted to an extensive biological testing and proved compounds 4 and 7 g to act mainly by an arrest of the tumour cells in the S phase of the cell cycle. In addition, compounds 4 and 7 g triggered the apoptotic pathway in cancer cells, showing high apoptosis ratios.本研究合成了32个吉托皂苷元（gypsogenin）衍生物，并对其细胞毒活性进行了筛选。所有衍生物的化学结构均通过红外光谱（IR）、氢核磁共振谱（¹H NMR）、碳核磁共振谱（¹³C NMR）以及液相色谱-质谱联用技术（LC-MS）等波谱数据得以确证。在MTT细胞毒性实验中，绝大多数衍生物对多种人源肿瘤细胞系（A549、LOVO、SKOV3及HepG2）均展现出低微摩尔级别的良好细胞毒活性。其中，酰胺类衍生物7a~7j、肟类衍生物3以及(2,4-二硝基苯基)腙类衍生物4均表现出较低的半抑制浓度（IC50）。尤为突出的是，衍生物4（IC50=2.97±1.13 μM）与7g（IC50=3.59±2.04 μM）针对LOVO细胞的半抑制浓度远低于其余衍生物及母核化合物。针对上述活性优异的化合物开展了深入的生物学验证实验，结果表明衍生物4与7g主要通过将肿瘤细胞周期阻滞于S期发挥抗肿瘤作用。此外，二者还可激活肿瘤细胞的凋亡通路，展现出较高的细胞凋亡率。