Amide–Amine Replacement in Indole-2-carboxamides Yields Potent Mycobactericidal Agents with Improved Water Solubility

ACS Medicinal Chemistry Letters
2021.0

Abstract

Indolecarboxamides are potent but poorly soluble mycobactericidal agents. Here we found that modifying the incipient scaffold by amide-amine substitution and replacing the indole ring with benzothiophene or benzoselenophene led to striking (10-20-fold) improvements in solubility. Potent activity could be achieved without the carboxamide linker but not in the absence of the indole ring. The indolylmethylamine, <i>N</i>-cyclooctyl-6-trifluoromethylindol-2-ylmethylamine (<b>33</b>, MIC<sub>90<i>Mtb</i></sub> 0.13 μM, MBC<sub>99.9<i>Mtb</i></sub> 0.63 μM), exemplifies a promising member that is more soluble and equipotent to its carboxamide equivalent. It is also an inhibitor of the mycolate transporter MmpL3, a property shared by the methylamines of benzothiophene and benzoselenophene.

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