260555-91-7Relevant academic research and scientific papers
Experimental and theoretical study of 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate
Guner,Atalay,Dolma
, p. 389 - 395 (2010)
The molecular geometry, vibrational frequencies, gauge-including atomic orbital (GIAO) 1H and 13C chemical shift values of 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate in the ground state have been calculated by using the Hartree-Fock (HF) and density functional method (DFT/B3LYP) with 6-31++G(d,p) basis set. Furthermore, this structure has been confirmed by IR, 13C and 1H spectroscopy. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The computed vibration frequencies are used to determine the types of molecular motions associated with each of the experimental bands observed. 13C and 1H NMR data were calculated by means of the methods of GIAO, CSGT, and IGAIM. Calculated chemical shift values are compared with the experimental 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate.
Mechanistic differences between in vitro assays for hydrazone-based small molecule inhibitors of anthrax lethal factor
Hanna, M. Leslie,Tarasow, Theodore M.,Perkins, Julie
, p. 50 - 58 (2008/09/18)
A systematically generated series of hydrazones were analyzed as potential inhibitors of anthrax lethal factor. The hydrazones were screened using one UV-based and two fluorescence-based in vitro assays. The study identified several inhibitors with IC50 values in the micromolar range, and importantly, significant differences in the types of inhibition were observed with the different assays.
