Chemistry and anti-herpes simplex virus type 1 evaluation of 4-substituted-1H-1,2,3-triazole-nitroxyl-linked hybrids.

HSV disease is distributed worldwide. Anti-herpesvirus drugs are a problem in clinical settings, particularly in immunocompromised individuals undergoing herpes simplex virus type 1 infection. In this work, 4-substituted-1,2,3-1H-1,2,3-triazole linked nitroxyl radical derived from TEMPOL were synthesized, and their ability to inhibit the in vitro replication of HSV-1 was evaluated. The nitroxide derivatives were characterized by infrared spectroscopy and elemental analysis, and three of them had their crystal structures determined by single-crystal X-ray diffraction. Four hybrid molecules showed important anti-HSV-1 activity with IC50 values ranged from 0.80 to 1.32 µM. In particular, one of the nitroxide derivatives was more active than Acyclovir (IC50 = 0.99 µM). All compounds tested were more selective inhibitors than the reference antiviral drug. Among them, two compounds were 4.5 (IC50 0.80 µM; selectivity index CC50/IC50 3886) and 7.7 times (IC50 1.10 µM; selectivity index CC50/IC50 6698) more selective than acyclovir (IC50 0.99 µM; selectivity index CC50/IC50: 869). These nitroxide derivatives may be elected as leading compounds due to their antiherpetic activities and good selectivity.

An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2'-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties.

A dinuclear copper(II) complex of formula [{Cu(bipy)(bzt)(OH2)}2(µ-ox)] (1) (where bipy = 2,2'-bipyridine, bzt = benzoate and ox = oxalate) was synthesised and characterised by diffractometric (powder and single-crystal XRD) and thermogravimetric (TG/DTG) analyses, spectroscopic techniques (IR, Raman, electron paramagnetic resonance spectroscopy (EPR) and electronic spectroscopy), magnetic measurements and density functional theory (DFT) calculations. The analysis of the crystal structure revealed that the oxalate ligand is in bis(bidentate) coordination mode between two copper(II) centres. The other four positions of the coordination environment of the copper(II) ion are occupied by one water molecule, a bidentate bipy and a monodentate bzt ligand. An inversion centre located on the ox ligand generates the other half of the dinuclear complex. Intermolecular hydrogen bonds and π-π interactions are responsible for the organisation of the molecules in the solid state. Molar magnetic susceptibility and field dependence magnetisation studies evidenced a weak intramolecular-ferromagnetic interaction (J = +2.9 cm-1) between the metal ions. The sign and magnitude of the calculated J value by density functional theory (DFT) are in agreement with the experimental data.

A chimeric design of heterospin 2p-3d, 2p-4f, and 2p-3d-4f complexes using a novel family of paramagnetic dissymmetric compartmental ligands.

End-off bicompartmental ligands bearing a nitronyl-nitroxide arm have been designed for synthesizing various heterospin molecular systems. These ligands can selectively interact with 3d and 4f metal ions, leading to 2p-4f, 2p-3d, and 2p-3d-4f complexes. The magnetic properties of the 2p-4f and 2p-3d-4f complexes have been investigated and rationalized by theoretical calculations.

A single-chain magnet with a very high blocking temperature and a strong coercive field.

Two isostructural 1D complexes, [M(hfac)2NaphNN]n [M = Mn(II) (1) or Co(II) (2); NaphNN = 1-naphthyl nitronylnitroxide], were synthesized and exhibit very strong antiferromagnetic metal-radical exchange coupling. Compound 2 shows slow magnetic relaxation behavior with a high blocking temperature (TB ≈ 13.2 K) and a very high coercive field of 49 kOe at 4.0 K.

A cobalt pyrenylnitronylnitroxide single-chain magnet with high coercivity and record blocking temperature.

Coordination of a [Co(hfac)2] moiety (hfac = hexafluoroacetylacetonate) with a nitronylnitroxide radical linked to bulky, rigid pyrene (PyrNN) gives a helical 1:1 chain complex, in which both oxygen atoms of the radical NO(·) groups are bonded to Co(II) ions with strong antiferromagnetic exchange. The complex shows single-chain magnet (SCM) behavior with frequency-dependent magnetic susceptibility, field-cooled and zero-field-cooled susceptibility divergence with a high blocking temperature of around 14 K (a record among SCMs), and hysteresis with a very large coercivity of 32 kOe at 8 K. The magnetic behavior is partly related to good chain isolation induced by the large pyrene units. Two magnetic relaxation processes have been observed, a slower one attributable to longer, and a faster one attributable to short chains. No evidence of magnetic ordering has been found.