Computed Properties of C12H8N2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1,10-Phenanthroline, is researched, Molecular C12H8N2, CAS is 66-71-7, about Synthesis, structural topologies and anticancer evaluation of phenanthroline-based 2,6-pyridinedicarboxylato Cu(II) and Ni(II) compounds. Author is Das, Amal; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Verma, Akalesh K.; Sarma, Bipul; Bhattacharyya, Manjit K..
Two new coordination compounds of Cu(II) and Ni(II), viz. [Cu2(phen)(μ-2,6-PDC)(2,6-PDC)(H2O)2]·4·.5H2O (1) and [Ni(phen)(2,6-PDC)(H2O)]·2H2O (2) (phen = 1,10-phenanthroline; 2,6-PDC = 2,6-pyridinedicarboxylate), were synthesized under ambient conditions and further characterized using single crystal x-ray diffraction, FTIR, electronic spectroscopy, thermal and elemental anal. The compound 1 is a 2,6-PDC bridged dinuclear Cu(II) compound, whereas compound 2 crystallizes as a mononuclear Ni(II) compound Crystal structure anal. and DFT calculations reveal that the noncovalent cooperative π-stacking interactions involved in the supramol. association of the compounds are energetically significant. In vitro antiproliferative activities of the compounds were studied with the Da′s Lymphoma (DL) malignant cancer cell line using MTT cell viability and apoptosis assays. Both the compounds exhibit significant concentration dependent cell cytotoxicity and apoptotic cell death in DL cancer cells, with nominal effects for normal healthy PBMC cells. A decrease in the MMP (mitochondrial membrane potential) and a rapid increase of the ROS (reactive oxygen species) levels in DL cells corroborate the apoptotic cell death induced by the compounds To support the observed wet laboratory cytotoxicity in DL cancer cells, the authors have also carried out in silico mol. docking studies of the compounds with the active sites of antiapoptotic BCL family proteins. Both the Cu(II) and Ni(II) compounds exhibit significant interaction modes with the BCL family cancer target proteins. Pharmacophore features of the structures of the compounds were identified to establish a structure activity relation (SAR).
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