The first-in-class 1,3,5-triazine-derived dual 5-HT6R/FAAH modulators in search for potential drug against neurodegenerative diseases with cognitive impairment
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<p>In the supporting information from the paper "The first-in-class 1,3,5-triazine-derived dual 5-HT6R/FAAH modulators in search for potential drug against neurodegenerative diseases with cognitive impairment", we provide the synthesis of compound <strong>33, 34, 36, 38</strong>, copies of the HPLC-traces, Mass-spectra and <sup>1</sup>H of compounds <strong>33</strong>, <strong>34</strong> and copies of the HPLC-traces, Mass-spectra and <sup>1</sup>H <sup>13</sup>C, and <sup>19</sup>F NMR spectra of final compounds <strong>2 - 23</strong>. Affinity constant (5-HT<sub>6</sub> <em>K</em><sub><em>i</em></sub>) from radioligand binding assay, Table S1 and representative dose-response curves, Figure S1 - S4. Inhibition activity <em>IC</em><sub><em>50</em></sub> on ChEs, Table S2 and representative dose-response curves, Figure S5, S6. Details for the functional bioassays for 5-HT<sub>6</sub>R, Table S3, Figure 7. Details for the metabolic stability results with spectral analysis, Table S4, Figure S8 - S13. The results of cytotoxic effects on HT-22 cell line, Table S5, S6. The results of neuroprotection in HT-22 cell line, Table S7. Graph of DPPH free radical scavenging capacity, Figure S14 and calculated energies of HOMO nad LUMO orbitals, Table S8. Metabolites docking scores for representative compounds, Table S9. Furthermore, we supply the molecular strings in CSV format.</p>
提供机构:
Uniwersytet Jagielloński Collegium Medicum
创建时间:
2025-08-04



