Search results for "PYRAZOL"

showing 10 items of 720 documents

CCDC 2023524: Experimental Crystal Structure Determination

2021

Related Article: Qingbo Shen, Carlos J. Gómez-García, Wenlong Sun, Xiaoyong Lai, Haijun Pang, Huiyuan Ma|2021|Green Chemistry|23|3104|doi:10.1039/D1GC00692D

catena-[triacontakis(mu-oxo)-bis(mu-hydroxo)-octaoxo-tetrakis(4-(1H-pyrazol-3-yl)pyridine)-germanium-di-copper-dodeca-tungsten octahydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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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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ChemInform Abstract: Synthesis and Pharmacological Evaluation of 1-Methyl-5- [substituted-4(3H)-oxo-1,2,3-benzotriazin-3-yl]-1H-pyrazole-4-acetic Aci…

2010

Abstract Several new 1-methyl-5-[substituted-4-oxo-1,2,3-benzotriazin-3-yl]-1H-pyrazole-4-acetic acids and their ethyl ester derivatives were prepared. The compounds were tested for analgesic and antiinflammatory activities, acute toxicity, ulcerogenic effect, and as in vitro inhibitors of 3α-hydroxysteroid dehydrogenase (3α-HSD), since it is claimed that the inhibition of such an enzyme predicts in vivo antiinflammatory activity. Some compounds were more active than phenylbutazone in the phenylbenzoquinone and acetic acid peritonitis tests, and equiactive to the same drug in the carrageenin paw edema test. All the compounds inhibited the 3α-HSD, but no correlation was observed with the paw…

chemistry.chemical_classificationChemistryDehydrogenaseGeneral MedicinePyrazoleMedicinal chemistryAcute toxicityIn vitroAcetic acidchemistry.chemical_compoundEnzymeIn vivoPhenylbutazonemedicinemedicine.drugChemInform
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CuIIand ZnIICoordination Chemistry of Pyrazole‐Containing Polyamine Receptors − Influence of the Hydrocarbon Side Chain Length on the Metal Coordinat…

2004

The synthesis of a new macrocyclic receptor (L 4 ) containing two 3,5-dimethylpyrazole units connected by dipropylenetriamine bridges is reported for the first time; pH-metric titrations indicate that L 4 shows six protonation steps in the pH range 2-11. In the absence of metal ions, the pyrazole moieties are not involved in acid-base processes in this pH range. Addition of Cu I I and Zn I I results in deprotonation of the pyrazole moieties which act as bis(monodentate) η 1 :η 1 ligands. This induced deprotonation occurs at higher pH values than in the complexes of the analogous ligand containing diethylenetriamine bridges (L 1 ). The crystal structures of [Cu 2 (H - 2 L 4 )](ClO 4 ) 2 and …

chemistry.chemical_classificationDenticityChemistryStereochemistryLigandPyrazoleCoordination complexInorganic ChemistryCrystallographyTrigonal bipyramidal molecular geometrychemistry.chemical_compoundDeprotonationDiethylenetriamineCoordination geometryEuropean Journal of Inorganic Chemistry
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5-Amino-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid

2009

In the title compound, C11H8F3N3O2, there are two molecules in the asymmetric unit wherein the phenyl rings make dihedral angles of 65.3 (2) and 85.6 (2)° with the pyrazole rings. In the crystal, pairs of molecules are held together by O—H...O hydrogen bonds between the carboxyl groups, forming a centrosymmetric dimer with an R22(8) motif. Intramolecular N—H...O interactions are also present.

chemistry.chemical_classificationHydrogen bondDimerCarboxylic acidGeneral ChemistryPyrazoleDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter PhysicsBioinformaticsOrganic Papers01 natural sciencesMedicinal chemistry3. Good health0104 chemical sciencesCrystallcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999X-ray studyGeneral Materials ScienceActa Crystallographica Section E
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Discrete and 1D coordination polymeric chloro-bridged copper(II) dimers exhibiting ferro- and antiferromagnetic exchange coupling: Magneto-structural…

2009

The synthesis and characterization of two 1D coordination polymers [Cu 2 (MHL)Cl 2 ][ClO 4 ] 2  · CH 3 CN · THF ( 2  · CH 3 CN · THF) and [Cu 2 (MPyPz)Cl 2 ][ClO 4 ] 2  · CH 3 CN ( 3  · CH 3 CN), having repetitive { Cu 2 II ( μ -Cl ) 2 } units, of m -xylyl-based ligands with terminal tridentate (2-pyridyl)alkylamine (MHL = α,α′-bis[ N -(2-pyridylethyl)- N -(2-pyridylmethyl)amino]- m -xylene) and (2-pyridyl)alkylamine/pyrazole (MPyPz = α,α′-bis[ N -(2-pyridylethyl)- N -(pyrazol-1-ylmethyl)amino]- m -xylene) coordination have been accomplished. X-ray crystallographic studies reveal that the copper(II) centers in the recently reported dichloro-bridged discrete { Cu 2 II ( μ -Cl ) 2 } complex […

chemistry.chemical_classificationLigandStereochemistryXylenechemistry.chemical_elementCrystal structurePyrazoleCopperInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryMaterials ChemistryNon-covalent interactionsAntiferromagnetismAmine gas treatingPhysical and Theoretical ChemistryInorganica Chimica Acta
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Design, synthesis and antiproliferative activity of methyl 4-Iodo-1-β-D-ribofuranosyl-pyrazole-3-carboxylate and related compounds

1996

Abstract In a SAR study on azole-related nucleosides we have designed some pyrazole-nucleoside analogs characterised, for the first time, by a carboxylic ester moiety. 4-Iodo-1-β-D-ribofuranosyl-pyrazole-3-carboxylate showed a wide spectrum of antiproliferative activity and a particularly low cytotoxicity against resting PBL, being, unlike the other azole nucleosides, more active than the corresponding primary amide.

chemistry.chemical_classificationStereochemistryOrganic ChemistryClinical BiochemistryPharmaceutical SciencePyrazoleBiochemistrychemistry.chemical_compoundchemistryDesign synthesisAmideDrug DiscoveryMolecular MedicineMoietyAzoleCarboxylateCytotoxicityMolecular BiologyCarboxylic esterBioorganic & Medicinal Chemistry Letters
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NonclassicalPschorr andSandmeyer Reactions in Pyrazole Series

2005

The diazonium salt derived from 4-amino-N,1,3-trimethyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide (14) was reacted with a mixture of CuSO4 and NaCl, with ascorbic acid as an initiator to afford the planar derivative 4,6-dihydro-1,4,6,8-tetramethyl-3-phenyldipyrazolo[3,4-b:4′,3′-d]pyridin-5(3H)-one (16) and its unexpected isomer 4,6-dihydro-3,4,6,8-tetramethyl-1-phenyldipyrazolo[4,3-b:4′,3′-d]pyridin-5(1H)-one (17), as well as the epimers (3S,4S)- (or (3S,4R)-) and (3S,4R)- (or (3S,4S)-) 4-chloro-2,4-dihydro-1′,3′,5,5′-tetramethyl-2-phenylspiro[pyrazole-3,4′(1′H)-pyrrolo[3,4-c]pyrazol]-6′(5′H)-one (18a and b, respectively). Epimers 18a and b were converted under basic c…

chemistry.chemical_classificationStereochemistryOrganic ChemistryIntercalation (chemistry)Pyrazole series Carboxylic acids Copper compounds DNA Isomers Mixtures Salts Sodium chlorideSalt (chemistry)PyrazoleAscorbic acidLinear dichroismBiochemistryCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryDrug DiscoverySandmeyer reactionEpimerPhysical and Theoretical ChemistryDerivative (chemistry)Helvetica Chimica Acta
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Synthesis of 4-amino-5-fluoropyrimidines and 5-amino-4-fluoropyrazoles from a β-fluoroenolate salt

2020

A synthesis of fluorinated pyrimidines under mild conditions from amidine hydrochlorides and the recently described potassium 2-cyano-2-fluoroethenolate was developed. A broad substrate scope was tested and mostly excellent yields were obtained. The synthesis of fluorinated aminopyrazoles from the same fluorinated precursor could be demonstrated but proceeded with lower efficiency.

chemistry.chemical_classificationcyclizationfluorinated heterocyclesChemistrypyrimidinesPotassiumOrganic Chemistrychemistry.chemical_elementSalt (chemistry)Substrate (chemistry)Combinatorial chemistryFull Research PaperpyrazolesAmidinelcsh:QD241-441Chemistrychemistry.chemical_compoundlcsh:Organic chemistryfluorineFluorinelcsh:Qlcsh:ScienceBeilstein Journal of Organic Chemistry
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Cu(II), Ni(II) and Zn(II) mononuclear building blocks based on new polynucleating azomethine ligand : Synthesis and characterization

2017

Five new mononuclear complexes formed by the polynucleating ligand 2-[1-(3,5-dimethyl)pyrazolyl]-2-hydroxyimino-N′-[1-(2-pyridyl)ethylidene]acetohydrazide (HL): [Ni(L)(HL)]ClO4·2CH3OH (1), [Ni(L)2]·CH3OH (2), [Zn(L)(HL)]ClO4·2CH3OH (3), [Zn(L)2]·CH3OH (4) and [Cu(L)2]·CH3OH (5) were synthesized and characterized by elemental analysis, mass-spectrometry, IR-spectroscopy and X-ray analysis. The complexes reveal distorted octahedral N4O2 coordination arrangement formed by both protonated and deprotonated (1, 3) or two deprotonated ligand molecules (2, 4, 5). The presence of non-coordinated oxime and pyrazole groups resulted in the formation of extensive systems of hydrogen bonds in the crystal…

chemistry.chemical_classificationkemia010405 organic chemistryStereochemistryLigandHydrogen bondligandsProtonationliganditPyrazole010402 general chemistryOximechemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesCoordination complexInorganic Chemistrychemistry.chemical_compoundDeprotonationchemistryMaterials ChemistryMoleculePhysical and Theoretical Chemistryta116
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