Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives

<p dir="ltr">Four novel TPDCA derivatives were prepared via a supersaturation method combining TPDCA with water, <i>N</i>-methyl-2-pyrrolidone (NMP), Na(PO₂H₂), and ammonia solution: 2(C₉H₇NO₅S)H₂O (<b>1</b>), (C₉H₇NO₅S)C₅H₉NO (<b>2</b>), (C₉H₇NO₅S)Na(PO₂H₂) (<b>3</b>), and (C₉H₅NO₅S)(NH₄)₂(H₂O) (<b>4</b>). Their crystal structures were determined by single-crystal X-ray diffraction. Compounds (<b>1</b>) and (<b>2</b>) crystallize in the monoclinic space groups <i>P</i>2₁ and <i>P</i>2₁/<i>c</i>, respectively, whereas compounds (<b>3</b>) and (<b>4</b>) crystallize in the triclinic space group <i>P</i>1̅. Weak and moderate hydrogen bonds were detected in the four compounds. In the biological tests, (<b>1</b>) and (<b>3</b>) exhibited significant antibacterial activity against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i>; in addition, (<b>1</b>) was cytotoxic against leukemia HL-60 cells with the IC₅₀ value of 158.5 ± 12.5 μM.</p><h2>Other Information</h2><p dir="ltr">Published in: ACS Omega<br>License: <a href="https://pubs.acs.org/page/policy/authorchoice_termsofuse.html" rel="noreferrer" target="_blank">https://pubs.acs.org/page/policy/authorchoice_termsofuse.html</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1021/acsomega.0c01769" target="_blank">https://dx.doi.org/10.1021/acsomega.0c01769</a></p>