Search results for "ZOL"
showing 10 items of 4792 documents
N-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide
2009
In the crystal structure of the title compound, C28H29FN4O2S, the imidazole ring makes dihedral angles of 11.85 (7), 73.33 (7) and 22.83 (8)° with the 4-fluorophenyl, pyridine and phenyl rings, respectively. The 4-fluorophenyl ring makes dihedral angles of 77.91 (7) and 26.93 (8)° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47 (9)°. The crystal packing shows an intermolecular N—H...O hydrogen-bonding interaction between the N—H and carbonyl groups of the amide functions.
3-(2-Fluorophenyl)-6-(phenoxymethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
2008
The crystal structure of the title compound, C16H11FN4OS, was synthesized in the course of our studies on 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles as inhibitors of p38 mitogen-activated protein kinase (MAPK). The three-dimensional data obtained were used to generate a three-dimensional pharmacophore model for in silico database screening. The dihedral angles between the central heterocylic system and the fluorophenyl and phenyl rings are 20.21 (3) and 5.43 (1)°, respectively; the dihedral angle between the two benzene rings is 15.80 (4)°.
4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine
2012
In the crystal structure of the title compound, C20H14FN5O2, the pyrazole ring forms dihedral angles of 59.3 (2), 25.6 (2) and 46.0 (2)° with the directly attached 4-fluorophenyl, pyridine and nitrophenyl rings, respectively. The crystal packing is characterized by intermolecular N—H...N and N—H...O hydrogen bonds.
Synthesis and crystal structures of two novel triazolopyridine compounds solved by local L.S. minimizations from powder diffraction data
2014
The heteroaryl-substituted triazolopyridines 3-phenyl-7-(pyrazin-2-yl)-[1,2,3]triazolo[1,5-a]pyridine (2) and 3-[6-(pyridazin-3-yl)-pyridin-2-yl]-[1,2,3]triazolo[1,5-a]pyridine (4) have been synthesized and characterized (by HRMS, IR,1H and13C NMR, XRPD, melting point). The crystal structures have been solved from laboratory powder X-ray diffraction data with the direct-space strategy TALP for molecular compounds based on fast local least-squares minimizations. The crystal structure confirmed the formation of the tridentate compound4from a ring chain isomerization process. The almost planar arrangement of atoms in both the structures favors the presence of intermolecularπ–πinteractions, alt…
1-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole
2009
The title compound, C13H15Cl2N3, also known as penconazole, crystallizes as a racemate. The dihedral angle between the benzene and triazole rings is 24.96 (13)°. In the crystal structure, molecules are linked into chains running parallel to the c axis by intermolecular C—H...N hydrogen-bonding interactions.
New polynuclear 4,4ˈ-bis-1,2,4-triazole Fe(II) spin crossover compounds
2001
L'interet porte aux materiaux moleculaires du Fe(II) presentant une transition entre un etat haut-spin (HS, S = 2) et un etat bas-spin (LS, S = 0), sous l'effet d'une variation de temperature, de pression ou d'une irradiation lumineuse, n'a cesse de croitre au cours de ces dix dernieres annees [1-4]. La famille des composes du Fe(II) a base de derives du 1,2,4-triazole substitues par un groupe R sur l'azote 4 a ete tres etudiee pour ses proprietes de transition de spin (TS), qui pourraient permettre des applications en electronique moleculaire [5-15, 29, 32, 36, 37]. Nous avons recemment presente le premier compose a TS possedant une structure tridimensionnelle (figure 2). Ce compose de for…
Curcumin-derived pyrazoles and isoxazoles: Swiss army knives or blunt tools for Alzheimer's disease?
2007
Curcumin binds to the amyloid beta peptide (Abeta) and inhibits or modulates amyloid precursor protein (APP) metabolism. Therefore, curcumin-derived isoxazoles and pyrazoles were synthesized to minimize the metal chelation properties of curcumin. The decreased rotational freedom and absence of stereoisomers was predicted to enhance affinity toward Abeta(42) aggregates. Accordingly, replacement of the 1,3-dicarbonyl moiety with isosteric heterocycles turned curcumin analogue isoxazoles and pyrazoles into potent ligands of fibrillar Abeta(42) aggregates. Additionally, several compounds are potent inhibitors of tau protein aggregation and depolymerized tau protein aggregates at low micromolar …
Lack of nucleophilic addition in the isoxazole and pyrazole diketone modified analogs of curcumin; implications for their antitumor and chemosensitiz…
2009
Curcumin (CUR) can be considered as a good lead compound for the design of new anticancer drugs. Further, structure-activity relationship studies may clarify the importance of the redox activities in the antitumor effects of the drug. We have elaborated the alpha,beta-unsaturated 1,3-diketone moiety of CUR into the isoxazole (ISO) and pyrazole (PYR) derivatives. These derivatives should be much less prone to nucleophilic addition than CUR and benzyl mercaptan addition analyses showed that indeed they do not form isolable conjugated products. When compared with CUR, ISO and PYR exhibited increased cell growth inhibitory and pro-apoptotic effects in liver cancer HA22T/VGH cells as well as in …
Gallium-68 and scandium-44 labelled radiotracers based on curcumin structure linked to bifunctional chelators: Synthesis and characterization of pote…
2019
Abstract Curcumin metal complexes showed widespread applications in medicine and can be exploited as a lead structure for developing new tracers for nuclear medicine application. Herein, the synthesis, chemical characterization and radiolabelling with gallium-68 and scandium-44 of two new targeting vectors based on curcumin scaffolds and linked to the chelators 1,4,7-triazacyclononane,1-glutaric acid-4,7-acetic acid (NODAGA) and 1,4-bis(carboxymethyl)-6-[bis(carboxymethyl)]amino-6-methylperhydro-1,4-diazepine (AAZTA) are reported. Synthesis of the precursors could be achieved with a 13% and 11% yield and radiolabelling generally afforded rapid incorporation under mild conditions (>95%). Sta…
Nanowire iron(III) coordination polymer based on 1,2,4-triazolo[1,5-a]pyrimidine and chloride ligands
2019
Abstract The neutral ligand 1,2,4-triazolo[1,5-a]pyrimidine (tp) has been employed to prepare a new coordination compound of Fe(III), [FeCl3(tp)2]n (1). Compound 1 was investigated by single crystal X-ray diffraction and found to be a coordination polymer forming a ladder structure based on metal–ligand interactions, while H-bonding and aromatic interactions contribute to the supramolecular self-assembly into a 3D nanostructured material. The polymeric assembly is retained also in solution, where a metallo-supramolecular polymer based on coordinative metal–ligand binding is present, as shown by dynamic light scattering (DLS) measurements. The redox properties of the Fe(III) coordination pol…