Synthesis, Structure and In Vitro Anticancer Activity of Pd(II) Complex of Pyrazolyl-s-Triazine Ligand; A New Example of Metal-Mediated Hydrolysis of s-Triazine Pincer Ligand

Crystals

Ayman El-Faham¹  HessaH. Al-Rasheed¹  SaiedM. Soliman²  Jamal Lasri³  Matti Haukka⁴  Nael Abutaha⁵ 

[1] Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, Egypt;Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344, Jeddah 21589, Saudi Arabia;Department of Chemistry, University of Jyväskylä, P.O. Box 35, FI-40014 Jyväskylä, Finland;Department of Zoology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;

关键词: Pd(II) complex;    pyrazole;    s-triazine;    hirshfeld;    DFT;    MCF-7;   

DOI  :  10.3390/cryst11020119

来源: DOAJ

【 摘 要 】

The square planar complex [Pd(PT)Cl(H₂O)]*H₂O (HPT: 6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine-2,4(1H,3H)-dione) was obtained by the reaction of 2-methoxy-4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine (MBPT) pincer ligand with PdCl₂ in a molar ratio (1:1) under thermal conditions and using acetone as a solvent. The reaction proceeded via C-N cleavage of one C-N moiety that connects the pyrazole and s-triazine combined with the hydrolysis of the O-CH₃ group. The reaction of the chloride salt of its higher congener (PtCl₂) gave [Pt(3,5-dimethyl-1H-pyrazole)₂Cl₂]. The crystal structure of [Pd(PT)Cl(H₂O)]*H₂O complex is stabilized by inter- and intra-molecular hydrogen bonding interactions. Hirshfeld analysis revealed that the H...H (34.6%), O...H (23.6%), and Cl...H (7.8%) interactions are the major contacts in the crystal. The charges at Pd, H₂O, Cl and PT are changed to 0.4995, 0.2216, −0.4294 and −0.2917 instead of +2, 0, −1 and −1, respectively, using the MPW1PW91 method. [Pd(PT)Cl(H₂O)]*H₂O complex has almost equal activities against MDA-MB-231 and MCF-7 cell lines with IC₅₀ of 38.3 µg/mL.

【 授权许可】

Unknown