Synthesis and characterization of a tetra-(benzylammonium) dihydrogen decavanadate dihydrate compound inhibiting MDA-MB-231 human breast cancer cells proliferation and migration

Abstract Single crystals of tetra-(benzylammonium) dihydrogen decavanadate dihydrate, (C7H10N)4[H2V10O28].2H2O, were grown in an aqueous solution at room temperature. The decavanadate compound was characterized by IR spectroscopy and X-ray powder diffraction. This compound crystallizes in the triclinic system, space group P-1, with a = 10.119(5) A, b = 10.284(3) A, c = 13.945(6) A, α = 69.87(3), β= 72.47(4), γ = 61.15(3), V = 1177.24(1) A3 and Z=1. The formula unit of decavanadate compound consists of one dihydrogen decavanadate anion [H2V10O28]4−, four organic cations (C7H10N)+ and two water molecules. The three-dimensional Hirshfeld surface (3D-HS) and their relative two-dimensional fingerprint plots (2D-FP) of (C7H10N)4[H2V10O28].2H2O compound, revealed that the structure is dominated by H…O/O…H (52.5 %) and H…H (22 %) contacts. Interestingly, when tested on MDA-MB231 triple negative human breast cancer cells, the (C7H10N)4[H2V10O28].2H2O compound inhibits their proliferation and migration at a micromolar range, suggesting its potential use as therapeutic molecule against breast cancer.