0000000000353225

AUTHOR

Bassam A. Abu Thaher

showing 11 related works from this author

1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

2016

In the title compound, C20H10Cl3N5O, the 13-membered ring system makes dihedral angles of 78.64 (9)° with the trichlorophenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π interactions between the 13-membered ring systems [centroid–centroid distance = 3.6655 (11)°].

0301 basic medicinepyridinecrystal structure246-trichlorophenylStereochemistryCentroidGeneral MedicineCrystal structureDihedral angleRing (chemistry)124-triazinoneCrystalbenzoimidazole03 medical and health sciencesCrystallographychemistry.chemical_compound030104 developmental biology0302 clinical medicinechemistry030220 oncology & carcinogenesisPyridinelcsh:QD901-999lcsh:CrystallographyIUCrData
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Efficient Synthesis and X-ray Structure of [1,2,4]Triazolo[4,3-a]pyridines via Oxidative Cyclization Using N-Chlorosuccinimide (NCS)

2021

Triazolopyridines are a family of compounds that, owing to their biological activity, have many pharmaceutical applications. In this study, 3-(pyridine-4-yl)-[1,2,4]triazolo[4,3-a]pyridine and 6-bromo-3-(pyridine-4-yl)-[1,2,4]triazolo[4,3-a]pyridine were synthesized by using the chlorinated agent NCS for hydrazones under very mild conditions. The characterization of these compounds was achieved by 1H NMR, 13C NMR, FTIR, MS and X-ray diffraction. The compound 3-(pyridine-4-yl)-[1,2,4]triazolo[4,3-a]pyridine was crystallized in the monoclinic space group P 21/c with a = 15.1413(12), b = 6.9179(4), c = 13.0938(8) Å, β = 105.102(6)°, V = 1324.16(16)Å3, Z = 4, and R = 0.0337. Also compound 6-bro…

N-ChlorosuccinimideH-bondingcrystal structureCrystallographysynthesisHydrogen bondGeneral Chemical EngineeringCrystal structureCarbon-13 NMRCondensed Matter PhysicsMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundNCSchemistryQD901-999PyridineProton NMRGeneral Materials ScienceFourier transform infrared spectroscopy124-triazolo[43-<i>a</i>]pyridineMonoclinic crystal systemCrystals
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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&amp;#8197;(2), 25.6&amp;#8197;(2) and 46.0&amp;#8197;(2)&amp;#176; with the directly attached 4-fluorophenyl, pyridine and nitrophenyl rings, respectively. The crystal packing is characterized by intermolecular N&amp;#8212;H...N and N&amp;#8212;H...O hydrogen bonds.

CrystallographyHydrogen bondGeneral ChemistryCrystal structurePyrazoleDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistryCrystalchemistry.chemical_compoundchemistryQD901-999PyridineNitroGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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2-(4-Fluorophenyl)-1-(4-pyridyl)cyclopentan-1-ol

2007

The crystal structure of the title compound, C16H16FNO, was determined as part of a study of the biological activity of pyridine-substituted cyclo­pentene derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The 4-fluoro­phenyl and 4-pyridyl rings are trans positioned with respect to each other. The compound exists as a racemic mixture. The synthesis was achieved via direct inter­action between the reactive complex Grignard reagent PyMgCl·LiCl and the enolizable ketone 4-fluoro­phenyl­cyclo­penta­none with the assistance of the neodymium salt catalyst NdCl3·2LiCl. The crystal packing is characterized by zigzag chains of mol­ecules, which are connected by O—H⋯N hydrogen bon…

chemistry.chemical_classificationKetoneStereochemistryHydrogen bondSalt (chemistry)Biological activityGeneral ChemistryCrystal structureCondensed Matter PhysicsCatalysisCrystalchemistryRacemic mixtureGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzonitrile

2012

In the crystal structure of the title compound, C21H14FN5, the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluorophenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N—H...N hydrogen bonds, which result in a two-dimensional network parallel to theac-plane.

NitrileHydrogen bondGeneral ChemistryCrystal structureDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrylcsh:Chemistrychemistry.chemical_compoundBenzonitrilelcsh:QD1-999chemistryPyridineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine

2012

In the title compound, C20H15FN4, the pyrazole ring forms dihedral angles of 43.51&amp;#8197;(6), 39.95&amp;#8197;(6) and 32.23&amp;#8197;(6)&amp;#176; with the directly attached 4-fluorophenyl, pyridine and phenyl rings, respectively. The crystal packing is stabilized by intermolecular N&amp;#8212;H...N and N&amp;#8212;H...F hydrogen bonds.

Hydrogen bondGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrylcsh:ChemistryCrystalchemistry.chemical_compoundlcsh:QD1-999chemistryPyridine1H-pyrazol-5-amineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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4-[2-(4-Fluorophenyl)furan-3-yl]pyridine

2009

In the crystal structure of the title compound, C(15)H(10)FNO, the furan ring makes dihedral angles of 40.04 (11) and 25.71 (11)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 49.51 (10)° with the 4-fluoro-phenyl ring. Non-conventional C-H⋯F and C-H⋯N hydrogen bonds are effective in the stabilization of the crystal structure.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic Paperschemistry.chemical_compoundCrystallographychemistryFuranPyridineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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(Z)-1-Chloro-1-[2-(2-nitrophenyl)hydrazinylidene]propan-2-one

2012

The title molecule, C9H8ClN3O3, lies on a mirror plane. Intramolecular N&#8212;H...O and N&#8212;H...Cl hydrogen bonds occur. One of the nitro O atoms is disordered (site occupancy ratio = 0.40:0.10).

inorganic chemicalsHydrogen bondChemistryeducationGeneral ChemistryCondensed Matter PhysicsOrganic Papersbehavioral disciplines and activitieshumanitieslcsh:ChemistryCrystallographylcsh:QD1-999Site occupancyNitroGeneral Materials ScienceMirror planehealth care economics and organizationsActa Crystallographica Section E
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Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate dimethyl sulfoxide hemisolvate

2012

The asymmetric unit of the title compound, C17H13Cl3N4O2&amp;#183;0.5C2H6OS, contains two almost identical molecules and one dimethyl sulfoxide (DMSO-d6) solvent molecule. The pyrazole ring forms dihedral angles of 54.6&amp;#8197;(4) and 80.0&amp;#8197;(4)&amp;#176; in one molecule, and dihedral angles of 54.2&amp;#8197;(4) and 81.2&amp;#8197;(4)&amp;#176; in the other molecule, with the directly attached pyridine and trichlorophenyl rings, respectively. The dihedral angles of the pyridine and trichlorophenyl rings are 51.2&amp;#8197;(4) and 52.0&amp;#8197;(4)&amp;#176;, respectively. The crystal packing is characterized by intra- and intermolecular hydrogen bonds. The crystal is a nonmeroh…

Hydrogen bondDimethyl sulfoxideGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrySolventlcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999PyridineGeneral Materials ScienceEthyl groupActa Crystallographica Section E
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Design, Synthesis and Biological Evaluation of Novel Pyrazolo[1,2,4]triazolopyrimidine Derivatives as Potential Anticancer Agents

2021

Three novel pyrazolo-[4,3-e][1,2,4]triazolopyrimidine derivatives (1, 2, and 3) were designed, synthesized, and evaluated for their in vitro biological activity. All three compounds exhibited different levels of cytotoxicity against cervical and breast cancer cell lines. However, compound 1 showed the best antiproliferative activity against all tested tumor cell lines, including HCC1937 and HeLa cells, which express high levels of wild-type epidermal growth factor receptor (EGFR). Western blot analyses demonstrated that compound 1 inhibited the activation of EGFR, protein kinase B (Akt), and extracellular signal-regulated kinase (Erk)1/2 in breast and cervical cancer cells at concentrations…

cervical cancercrystal X-ray analysisPharmaceutical ScienceAntineoplastic AgentsArticleAnalytical ChemistryHeLa03 medical and health sciencesbreast cancerQD241-4410302 clinical medicineDrug DiscoveryHumansEpidermal growth factor receptorPhysical and Theoretical Chemistrypyrazolo[124]triazolopyrimidineCytotoxicityProtein Kinase InhibitorsProtein kinase BCell Proliferation030304 developmental biologyMitogen-Activated Protein Kinase 1pyrazolo[124]triazolopyrimidine; EGF-receptor inhibitor; breast cancer; cervical cancer; molecular docking; crystal X-ray analysis0303 health sciencesBinding SitesMitogen-Activated Protein Kinase 3biologyChemistryKinaseOrganic ChemistryBiological activitymolecular dockingTriazolesbiology.organism_classificationMolecular biologyIn vitroErbB ReceptorsMolecular Docking SimulationPyrimidinesChemistry (miscellaneous)Docking (molecular)030220 oncology & carcinogenesisbiology.proteinMolecular MedicineProto-Oncogene Proteins c-aktEGF-receptor inhibitorHeLa CellsProtein BindingMolecules
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4-[2-(4-Fluorophenyl)-1H-pyrrol-3-yl]pyridine

2009

In the crystal structure of the title compound, C(15)H(11)FN(2), the pyrrole ring makes dihedral angles of 33.19 (9) and 36.33 (10)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 46.59 (9)° with the 4-fluoro-phenyl ring. In the crystal structure, an N-H⋯N hydrogen bond joins the mol-ecules into chains.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperschemistry.chemical_compoundCrystallographychemistryPyridineGeneral Materials SciencePyrroleActa Crystallographica Section E Structure Reports Online
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