2026-10-15T01:36:41Z https://www.scidb.cn/oai

10.57760/sciencedb.nprd.00357 2026-08-05T16:42:24Z

2026-08-05 Two novel bufadienolides from the eggs of toad Bufo gargarizans and their anti-breast cancer activity-raw data doi:10.57760/sciencedb.nprd.00357 en In order to explore the chemical components in the eggs of Bufo gargarizans, the dichloromethane extracts of Bufo gargarizans were separated and purified by a variety of column chromatography techniques. The structures of these compounds were identified by NMR, MS, UV and other means, and the in vitro proliferation activities of these compounds against human breast cancer cell lines MCF-7 and MDA-MB-231 were evaluated by MTT method. A total of 5 compounds were isolated, namely 3- (14-hydroxy-7Z-tetradecenoyl) - helebrigenol (1), 3- (16-hydroxy-9Z-hexadecanoyl) - helebrigenol (2), 3- (14-hydroxy-7Z-tetradecenoyl) -1 β - hydroxytelecinobufagin (3), 3- (14-hydroxy-tetradecanoyl) - helebrigenol (4), and 3-oxo sand toad essence (5). Among them, compounds 1 and 2 are new compounds, and compound 5 is reported for the first time as a natural product. The activity test results showed that all the compounds had strong anti breast cancer activity. The IC50 of the new compounds 1 and 2 against the three negative breast cancer cell line MDA-MB-231 were 0.230 ± 0.028 and 0.215 ± 0.064 μ mol/L, respectively. This dataset contains all NMR raw spectrum data and activity data of two new compounds.  NMR; 天然产物; 蟾毒内酯 zhangpw PUBLIC https://creativecommons.org/licenses/by-nc-sa/4.0/ dataset Science Data Bank