Zhu Xia-Ping, Lin Gui-Shan, Duan Wen-Gui, Li Qing-Min, Li Fang-Yao, Lu Shun-Zhong
School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004, China.
College of Pharmacy, Guilin Medical University, Guilin 541100, China.
Molecules. 2020 Feb 22;25(4):986. doi: 10.3390/molecules25040986.
Seventeen novel 2-(5-amino-1-(substituted sulfonyl)-1-1,2,4-triazol-3-ylthio)-6- isopropyl-4,4-dimethyl-3,4-dihydronaphthalen-1(2)-one compounds were synthesized from the abundant and naturally renewable longifolene and their structures were confirmed by FT-IR, NMR, and ESI-MS. The in vitro cytotoxicity of the synthesized compounds was evaluated by standard MTT assay against five human cancer cell lines, i.e., T-24, MCF-7, HepG2, A549, and HT-29. As a result, compounds , , and exhibited better and more broad-spectrum anticancer activity against almost all the tested cancer cell lines than that of the positive control, 5-FU. Some intriguing structure-activity relationships were found and are discussed herein by theoretical calculation.
以丰富且天然可再生的长叶烯为原料合成了17种新型的2-(5-氨基-1-(取代磺酰基)-1,2,4-三唑-3-基硫代)-6-异丙基-4,4-二甲基-3,4-二氢萘-1(2)-酮化合物，其结构通过傅里叶变换红外光谱(FT-IR)、核磁共振(NMR)和电喷雾电离质谱(ESI-MS)得以确证。采用标准MTT法针对5种人类癌细胞系，即T-24、MCF-7、HepG2、A549和HT-29，对合成化合物的体外细胞毒性进行了评估。结果显示，与阳性对照5-氟尿嘧啶(5-FU)相比，化合物 、 和 对几乎所有受试癌细胞系均表现出更好且更具广谱性的抗癌活性。通过理论计算发现了一些有趣的构效关系，并在本文中进行了讨论。
