Enthalpies of dilution of benzamide, cyclohexanecarboxamide, and N-acetyl-N′-methyl-l-cyclohexylalaninamide dissolved in N,N-dimethylformamide have been measured at 298.15 K. The results are used to calculate enthalpic interaction coefficients. Solutes with an aromatic ring have a more positive...
Further SAR study around the central 1,2-disubstituted phenyl of the previously disclosed Cat K inhibitor (−)-1 has demonstrated that the solvent exposed P2–P3 linker can be replaced by various 5- or 6-membered heteroaromatic rings. While some potency loss was observed in the 6-membered heteroa...
Semicarbazones derived from 3- and 4-formylpyridine (H3FoPyS, H4FoPyS) and 3- and 4-acetylpyridine (H3AcPyS, H4AcPyS) were prepared and studied spectroscopically. Complete NMR assignments for these semicarbazones were made using DEPT135, as well as HMQC and HMBC heteronuclear correlation techniq...
Metal complexes with 2-acetylpyridine-N(4)-orthochlorophenylthiosemicarbazone (H2Ac4oClPh) were assayed for their cytotoxicity against MCF-7 breast adenocarcinoma and HT-29 colon carcinoma cells. The thiosemicarbazone and most of the complexes were highly cytotoxic. H2Ac4oClPh and its gallium(II...
The crystal structures of [Co(4-acpy)2(H2O)4] (sac)2 (1) and [Zn(4-acpy)2(H2O)4] (sac)2 (2) (4-acpy: 4-acetylpyridine, sac: saccharinate) complexes have been investigated by X-ray diffraction techniques. The magnetic environments of Cu2+ doped [Co(4-acpy)2(H2O)4] (sac)2 and [Zn(4-acpy)2(H2O)4] (...
4-Formyl- and 4-acetylpyridine N(4)-methyl- and N(4)-ethylthiosemicarbazone have been prepared, their structures solved and IR, NMR and UV spectra recorded. Intramolecular and intermolecular hydrogen bonding are both present, but the mode of the intermolecular interaction differs in the four com...
Three new manganese(II) complexes, namely [Mn(NCS)2(L)2(CH3OH)2]·2CH3OH (1), [Mn(NCS)2(L)2(C2H5OH)2]·2C2H5OH (2) and [Mn(NCS)2(μ-L)2]n (3) (L = 4-acetylpyridine nicotinoylhydrazone) have been synthesized and characterized by elemental analysis, IR spectra, single-crystal and powder X-ray diff...
A SHG active Organic molecular adduct, 4-acetylpyridine:4-aminobenzoicacid (APAB)(1:1) was synthesized and single crystals grown by slow solvent evaporation solution growth technique at ambient temperature. The molecular structure was confirmed by NMR spectral studies and single crystal x-ray di...
Complexes [In(2Ac4oFPh)Cl2(MeOH)] (1) and [In(2Ac4oFPh)Cl2]·0.5EtOH (2) were obtained with 2-acetylpyridine-N(4)-ortho-fluorophenyl thiosemicarbazone (H2Ac4oFPh). Neutron activation of 1 and 2 resulted in the formation of the 114mIn/115mIn analogues (*1) and (*2). The thiosemicarbazone ligand, ...
The spectroscopic (UV–Vis and infrared), structural and some electronic property observations of the 4-acetylpyridine (4-AP) were reported, which are investigated by using some spectral methods and DFT calculations. FT-IR spectra were obtained for 4-AP at room temperature in the region 4000 cm−...
Phosphorylation of 1-β-D-2'-F-arabino-5-iodocytosine (FIAC), a newly synthesized pyrimidine nucleoside with potent antiherpesvirus activity, was compared with that of its parent compound, 1-β-D-arabinofuranosylcytosine (ara-C). While ara-C was phosphorylated extensively by homogenates of ...
The triphosphates of acyclovir (ACV), 1-(2′-deoxy-2′-fluoro-β-d-arabinofuranosyl)-5-iodocytosine (FIAC) and E-5-(2-bromovinyl)-2′-deoxyuridine (BVdU) have been examined for their inhibitory effects on the endogenous DNA polymerase reactions of human hepatitis B virus (HBV) and woodchuck hepa...
2,2′-Anhydro-1-(3′-O-acetyl-β-D-arabinofuranosyl)-5-iodocytosine (anhydro-araIC 3′-acetate), previously synthesized and isolated as a crude product by Moffatt and his coworkers, was purified and characterized. The availability of pure anhydro-araIC 3′-acetate made possible a comparative stu...
The 125I labeled analog of 1-(2-deoxy-2-fluoro-β-d-arabinofuranosyl)-5-iodocytosine (FIAC) has been prepared for studies on the imaging of herpes simplex virus (HSV) encephalitis infections in animals. Iodination of 1-(2-deoxy-2-fluoro-β-d-arabinofuranosyl)cytosine-HCI (FAC·HCI) with Na 125I ...
The infrared (IR) spectra of 5-fluorocytosine (5FC), 5-bromocytosine (5BrC) and 5-iodocytosine (5IC) all isolated in an argon matrix at 15 K are presented and discussed. Vibrational assignments are proposed based on ab initio quantum mechanical calculations (3–21G basis set) of the IR frequenci...
By way of capacity-potential curves of 5-iodocytosine in th epotential range of the cathodic pit edge, the dependence of the critical degree of coverage of a two-dimensional condensed adsorption film on temperature was investigated. The Frumkin interaction coefficient determined from the critica...
5-Iodocytosine exerted a lethal effect in mice in dosages at which the corresponding ribonucleoside, deoxyribonucleoside, or the analogous derivatives of uracil were innocuous. This toxicity was best prevented by the co-administration of 5-methylcytosine, whereas cytosine, cytidine, and deoxycyt...
Iodocytosine is deiodinated by specific hydrogen-ion attack on the neutral species to iodouracil, which is further transformed to uracil in acid solutions. The extent of the transformation of iodouracil to uracil is dependent on its concentration and is consistent with a postulated equilibration...
We previously reported a facile preparation method of 3-substituted-2,6-difluoropyridines, which were easily converted to 2,3,6-trisubstituted pyridines by nucleophilic aromatic substitution with good regioselectivity and yield. In this study, we demonstrate the synthetic utility of 3-substitute...
Attempts to homocouple 1,3-bis(2-hydroxyhexafluoro-2-propyl)-5- iodobenzene (diol iodide) with copper fail to give the desired biphenyl tetrol. However, the dimethyl ether derivative of the diol iodide reacts smoothly with copper to give the biphenyl tetramethyl ether in good yields. The diaceta...
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