A New Bromo-Mn(II) Complex with 1,3,5-Triazine Derivative: Synthesis, Crystal Structure, DFT and Biological Studies.

The crystal structure and topology analyses of a new bromo-Mn(II) complex with 2,4-bis(3,5dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (MBPT) were reported. Its structure was confirmed using single-crystal X-ray diffraction to create the formula [Mn(MBPT)Br(H₂O)₂]ClO₄. Its crystal system was monoclinic and its space group was p2₁. The Mn(II) was coordinated with MBPT as a NNN-pincer ligand, with one bromide ion in the equatorial plane. The two axial terminals were occupied by two trans water molecules. H...H, N...H, Br...H, C...H and O...H were the predominant intermolecular contacts, while Br...H, O...H and C...O were the significant contacts based on Hirshfeld analysis. Moreover, anion–ᴨ interaction was found between C(s-triazine) and O(perchlorate). This complex had better antioxidant activity than the free ligand (MBPT). In addition, the cytotoxicity of the [Mn(MBPT)Br(H₂O)₂]ClO₄ complex showed better results against HepG-2 and MCF-7 cells, recording IC₅₀ values of 31.11 ± 2.04 and 50.05 ± 2.16 µM, respectively, compared to the free ligand (IC₅₀ = 671.44 ± 21.41 and 1113.55 ± 29.77 µM). In comparison to cis-platin as a reference drug, the IC₅₀ values were 63 and 80 μM, respectively, which indicated the promising anticancer activity of the studied compound against both cell lines. In terms of the safety of normal cells, the Mn(II) complex recorded a high IC₅₀ value of 359.10 ± 8.72 µM against the WI-38 non-cancerous cell line. The complex showed better activity towards Staphylococcus aureus, Bacillus subtilis, and Proteus vulgaris relative to the free MBPT, but had low to moderate activity compared to Gentamycin as an antibacterial positive control. [ABSTRACT FROM AUTHOR]