In an article, author is Comba, Peter, once mentioned the application of 375395-33-8, HPLC of Formula: C27H54F6N2O4S2, Name is N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide, molecular formula is C27H54F6N2O4S2, molecular weight is 648.85, MDL number is MFCD08275364, category is pyridazines. Now introduce a scientific discovery about this category.
Optimization of Hexadentate Bispidine Ligands as Chelators for Cu-64(II) PET Imaging
The coordination chemistry of the hexadentate bispidine ligand L-1 with three pyridine, one pyridazine, and two tertiary amine donors with Cu-II and Zn-II is reported. The substitution of one of the two cis-disposed pyridine donors in-plane with the two tertiary amines of the bispidine backbone by a pyridazine group was predicted to substantially reduce distortion from planarity of the tetradentate subunit and therefore was assumed to lead to higher Cu-II complex stability. The X-ray single-crystal structures of the Zn-II and Cu-II complexes, which are in excellent agreement with the DFT- and MM-optimized structures, confirmed this prediction but indicated that deviation from planarity is appreciable. This also emerges from solution spectroscopy (UV/Vis/NIR and EPR of the Cu-II complex), which indicated that the in-plane ligand field is only slightly increased. The geometric parameters together with the lower basicity of pyridazine versus pyridine (pK(a) =2.33 vs. 5.23) are also in agreement with an only slightly more negative redox potential of the Cu-II/I couple (E degrees= 780 vs. 760 mV, MeCN, vs. Fc/Fc(+)), and the potentiometrically determined Cu-II stability constant with L-1 is slightly lower than that with the parent ligand L-2 (log K=12.7 vs. 14.5). Therefore, modification of the donor groups is a more promising approach to increasing the stabilities of these complexes and yields Cu-64(II) chelators that outperform known hexadentate bispidine ligands.
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Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem