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Dinuclear dibutyltin complexes {[2-O-C6H4(O)C=N-N=C(O)CPh2O](n-Bu2Sn)2}n (C1) and {[2-(3-O-C8H6)(O)C=N-N=C-2-(3-O-C8H6)]2(n-Bu2Sn)2}n (C2) have been synthesized and characterized by IR, 1H, 13C, and 119Sn NMR spectra, HRMS, elemental analysis, and thermal stability analysis. Their crystal structures have been determined by X-ray diffraction. In vitro antitumor activities of both complexes have been evaluated by the CCK8 method against three human cancer cell lines (MCF-7, NCI-H460, and HepG2), and the complexes have exhibited high activity against MCF-7 and HepG2. [ABSTRACT FROM AUTHOR]

• Six di- p -chlorobenzyltin complexes were synthesized and characterized. • The anticancer activities of six complexes were tested by the MTT test. • The interaction between C2 and DNA was studied by spectral experiment and molecular docking. Six new di- p -chlorobenzyltin complexes {[X-C 6 H 4 (O)C=N-N=C(Me)COO](MeOH)(p -Cl-C 6 H 4 CH 2) 2 Sn} 2 (X= 2-OH- (C1), 4-OH- (C2), 4-NO 2 - (C3), 4- t -Bu-(C4), 4-MeO-(C5) or 4-Me- (C6)) were synthesized by the reactions of substituted arylhydrazides, sodium pyruvate, and di(p -chlorobenzyl)tin dichloride. All the complexes were characterized by IR, 1H, 13C, 119Sn NMR spectra, HRMS, X-ray single crystal diffraction, and TGA. The complexes (C1 ∼ C6) were screened for their in vitro anticancer activity against MCF-7, HepG2, and NCI-H460 cancer cell lines. In those complexes, complex C2 showed promising anticancer activity. The interaction between C2 and calf thymus DNA was studied by UV absorption and fluorescence spectroscopy. The results showed that the interaction between the complex C2 and DNA was intercalation. Molecular docking was also performed to verify the binding specificity of the complex C2 with DNA. Six organotin complexes have been successfully prepared. In vitro antitumor activities test, complex C2 has shown the most promising anticancer activity against HepG2, MCF-7 and NCI-H460 cell lines. [Display omitted] [ABSTRACT FROM AUTHOR]