Bromoiesol sulfates A () and B (), new polyhalogenated aryl sulfates, were isolated from a sp. marine cyanobacterium along with their hydrolyzed compounds, bromoiesols A () and B (). To pick up the candidates of their structures, we used Small Molecule Accurate Recognition Technology (SMART), an artificial intelligence-based structure-prediction tool, and their structures were elucidated on the basis of single-crystal X-ray diffraction analysis of bromoiesols ( and ). In addition, to verify the structures, the total synthesis of bromoiesol A sulfate () and bromoiesol A () was achieved. The bromoiesol family, especially bromoiesols ( and ), selectively inhibited the growth of the bloodstream form of , the causative agent of human African sleeping sickness.
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http://dx.doi.org/10.1021/acs.joc.1c01214 | DOI Listing |
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