Search results for "Nitro compound"

showing 10 items of 42 documents

Density Functional Theory Study of the Trans-Trans-Cis (TTC)→Trans-Trans-Trans (TTT) Isomerization of a Photochromic Spiropyran Merocyanine

2008

Density Functional Theory (DFT) calculations have been performed on the TTC→TTT isomerization reaction of the open forms of the 1',3'-dihydro-8-bromo-6-nitro- 1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-(2H)indole (8-Br-6-nitro-BIPS) system. The calculations were carried out in vacuo and in methylene chloride solution at different temperatures. Results are compared with the available experimental values of free energy difference and activation energy in solution.

Models MolecularIndolesVacuumSpiropyran; photochromism; DFT calculation; solvent influence on activation energy; merocyanine.merocyaninesolvent influence on activation energyPharmaceutical ScienceDFT calculationPyrimidinonesPhotochemistryArticleAnalytical Chemistrylcsh:QD241-441Photochromismchemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryBenzopyransMerocyaninePhysical and Theoretical ChemistryMethyleneFluorescent DyesIndole testSpiropyranMethylene ChlorideOrganic ChemistryStereoisomerismModels TheoreticalNitro CompoundsphotochromismSolutionschemistrymerocyanine.Chemistry (miscellaneous)ThermodynamicsMolecular MedicineDensity functional theorySpiropyranIsomerizationCis–trans isomerismMolecules
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The Nature of the Stimulus and of the Fumarate Binding Site of the Fumarate Sensor DcuS of Escherichia coli

2005

DcuS is a membrane-associated sensory histidine kinase of Escherichia coli specific for C(4) -dicarboxylates. The nature of the stimulus and its structural prerequisites were determined by measuring the induction of DcuS-dependent dcuB'-'lacZ gene expression. C(4)-dicarboxylates without or with substitutions at C2/C3 by hydrophilic (hydroxy, amino, or thiolate) groups stimulated gene expression in a similar way. When one carboxylate was replaced by sulfonate, methoxy, or nitro groups, only the latter (3-nitropropionate) was active. Thus, the ligand of DcuS has to carry two carboxylate or carboxylate/nitro groups 3.1-3.8 A apart from each other. The effector concentrations for half-maximal i…

Models MolecularMagnetic Resonance SpectroscopyHistidine KinaseRecombinant Fusion ProteinsMolecular Sequence Datamedicine.disease_causeBiochemistryCitric AcidStructure-Activity Relationshipchemistry.chemical_compoundFumaratesEscherichia colimedicineDicarboxylic AcidsAmino Acid SequenceCarboxylatePhosphorylationBinding siteKinase activityTartratesMolecular BiologyEscherichia coliPeptide sequenceDicarboxylic Acid TransportersBinding SitesChemistryEscherichia coli ProteinsAutophosphorylationHistidine kinaseGene Expression Regulation BacterialCell BiologyNitro CompoundsPeptide FragmentsEnzyme ActivationLac OperonBiochemistryMutagenesis Site-DirectedPropionatesProtein KinasesSequence AlignmentBinding domainJournal of Biological Chemistry
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Rare Example of μ-Nitrito-1κ2O,O′:2κO Coordinating Mode in Copper(II) Nitrite Complexes with Monoanionic Tridentate Schiff Base Ligands: Structure, M…

2008

Three new copper(II) complexes, [CuL(1)(NO(2))](n) (1), [CuL(2)(NO(2))] (2), and [CuL(3)(NO(2))] (3), with three similar tridentate Schiff base ligands [HL(1) = 6-amino-3-methyl-1-phenyl-4-azahept-2-en-1-one, HL(2) = 6-amino-3-methyl-1-phenyl-4-azahex-2-en-1-one, and HL(3) = 6-diethylamino-3-methyl-1-phenyl-4-azahex-2-en-1-one] have been synthesized and characterized structurally and magnetically. In all three complexes, the tridentate Schiff base ligand and one oxygen atom of the nitrite ion constitute the equatorial plane around Cu(II), whereas the second oxygen atom of the nitrite ligand coordinates to one of the axial positions. In 1, this axially coordinated oxygen atom of the nitrite …

Models MolecularStereochemistryMolecular Conformationchemistry.chemical_elementCrystallography X-RayLigandsElectrochemistryIonInorganic ChemistryMagneticschemistry.chemical_compoundElectrochemistryPhysical and Theoretical ChemistryNitriteNitritesSchiff BasesSchiff baseLigandIntermolecular forceNitro CompoundsCopperOxygenCrystallographyMonomerchemistryThermodynamicsCopperInorganic Chemistry
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A catalytic highly enantioselective direct synthesis of 2-bromo-2-nitroalkan-1-ols through a Henry reaction.

2008

Highly enantiomerically enriched 2-bromo-2-nitroalkan-1-ols are prepared by direct condensation of aliphatic and aromatic aldehydes with bromonitromethane in the presence of a catalytic amount of copper(II) acetate and a C1-symmetric camphorderived amino pyridine ligand. Blay Llinares, Gonzalo, Gonzalo.Blay@uv.es ; Hernandez Olmos, Victor, Victor.Hernandez@uv.es ; Pedro Llinares, Jose Ramon, Jose.R.Pedro@uv.es

Nitroaldol reactionEnrichedCondensationPyridinesBromonitromethaneUNESCO::QUÍMICACatalytic ; Synthesis ; Henry reaction ; Enriched ; CondensationMolecular Conformationchemistry.chemical_elementAcetatesLigands:QUÍMICA [UNESCO]CatalysisCatalysisSynthesisMaterials ChemistryOrganic chemistryCatalyticAldehydesEthaneChemistryUNESCO::QUÍMICA::Química inorgánicaCondensationMetals and AlloysEnantioselective synthesisStereoisomerismGeneral Chemistry:QUÍMICA::Química inorgánica [UNESCO]Nitro CompoundsCopperPyridine ligandSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAlcoholsCeramics and CompositesHenry reactionCopperChemical communications (Cambridge, England)
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Enhanced chemiluminescent determination of chloramphenicol and related nitro compounds by ‘on-line’ photochemical reaction

2000

The viability of tandem photochemical reaction-chemiluminescence detection was studied for a heterogeneous family of nitro compounds using chloramphenicol as a test substance. The 'on-line' chemical photodegradation of chloramphenicol was performed in a flow injection assembly by using a photoreactor consisting of a 725 cm x 0.5 mm id piece of PTFE tubing coiled around an 8 W low-pressure mercury lamp. Photodegraded chloramphenicol was detected by oxidizing photo-fragments from the parent compound and their subsequent reaction with a luminol-Co(II) system. The calibration graph was linear up to 3 x 10(-5) mol l-1 chloramphenicol, the limit of detection was 3 x 10(-9) mol l-1, the relative s…

PhotochemistryPhotochemistryBiochemistryAnalytical ChemistryLuminollaw.inventionchemistry.chemical_compoundlawElectrochemistrymedicineEnvironmental ChemistryPhotodegradationSpectroscopyAntibacterial agentChemiluminescenceDetection limitChloramphenicolSignal Processing Computer-AssistedNitro CompoundsChloramphenicolchemistryCalibrationLuminescent MeasurementsNitroQuantitative analysis (chemistry)medicine.drugThe Analyst
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Simultaneous determination of 4-nitroanisole, 4-nitrophenol, and 4-nitrocatechol by phase-sensitive ac polarography.

1977

Abstract Phase‐sensitive ac polarography was applied to the simultaneous quantitative determination of 4‐nitroanisole, 4‐nitrophenol and 4‐nitrocatechol in alkaline solutions. Certain experimental precautions are necessary to determine each compound in the presence of the other two. Thus, 4‐nitrocatechol is determined indirectly by forming a yellow ratio chelate with cupric ions, whereas 4‐nitroanisole is determined directly by the reduction waves of the nitro group. For the determination of 4‐nitrophenol, the interference by the simultaneously present 4‐nitrocatechol must be eliminated by masking it by the addition of magnesium ions. The method described permits a qualitative and quantitat…

PolarographyCalibration curveAnalytical chemistryCatecholsPharmaceutical Science4-NitrophenolAnisolesHydrogen-Ion ConcentrationNitro CompoundsIonNitrophenolschemistry.chemical_compoundchemistryNitroMethodsChelationMagnesiumQuantitative analysis (chemistry)Magnesium ionCopperPolarographyJournal of pharmaceutical sciences
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In vivo and in vitro anti-leishmanial activities of 4-nitro-N-pyrimidin- and N-pyrazin-2-ylbenzenesulfonamides, and N2-(4-nitrophenyl)-N1-propylglyci…

2009

A series of compounds containing the nitrobenzene and sulfonamido moieties were synthesized and their leishmanicidal effect was assessed in vitro against Leishmania infantum promastigotes. Among the compounds evaluated, the p-nitrobenzenesulfonamides 4Aa and 4Ba, and the p-nitroaniline 5 showed significant activity with a good selectivity index. In a Balb/c mice model of L. Infantum, administration of compounds 4Aa, 4Ba or 5 (5 mg/kg/day for 10 days, injected ip route) led to a clear-cut parasite burden reduction (ca. 99%). In an attempt to elucidate their mechanism of action, the DNA interaction of 4Aa and 5 was investigated by means of viscosity studies, thermal denaturation and nuclease …

StereochemistryClinical BiochemistryNitro compoundGlycinePharmaceutical ScienceBiochemistryChemical synthesisMiceIn vivoDrug DiscoverymedicineAnimalsMolecular BiologyLeishmaniasischemistry.chemical_classificationNucleaseMice Inbred BALB CSulfonamidesAniline CompoundsbiologyOrganic Chemistrybiology.organism_classificationTrypanocidal AgentsIn vitroPyrimidineschemistryMechanism of actionBiochemistrybiology.proteinNitroMolecular MedicineLeishmania infantummedicine.symptomBioorganicmedicinal chemistry
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Synthesis and biological evaluation of 4-nitro-substituted 1, 3-diaryltriazenes as a novel class of potent antitumor agents

2011

Abstract We describe the synthesis and biological activity of a new class of 1,3-diaryltriazenes, namely 4-nitro-substituted 1,3-diaryltriazenes. Structure–activity relationship analysis reveals that 1,3-diaryltriazenes can be modified from inactive to highly cytotoxic compounds by the introduction of two nitro groups at the para positions of benzene rings and two additional electron-withdrawing groups (bromo, chloro, trifluoromethyl or fluoro substituents) at their ortho position. In order to increase the solubility of the modified compounds, we introduced various acyl groups to their triazene nitrogen. The results of LC-MS/MS analysis showed that N -acyltriazenes can be considered as prod…

StereochemistryNitro compoundAntineoplastic AgentsApoptosis1 ; 3-diaryltriazenes ; synthesis ; cytotoxicity ; ROS induction ; apoptosisChemical synthesisNitrophenolschemistry.chemical_compoundStructure-Activity RelationshipCell Line TumorDrug DiscoveryCytotoxic T cellHumansProdrugsTriazeneCell ProliferationPharmacologychemistry.chemical_classificationChemistryOrganic ChemistryBiological activityGeneral MedicineDNA NeoplasmProdrugEndoplasmic Reticulum StressIn vitroDrug Resistance NeoplasmNitroCisplatinTriazenesReactive Oxygen Species
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Semisynthesis and cytotoxicity of styryl-lactone derivatives.

1999

The cytotoxicity and the cell-cycle action of altholactone (1), goniofufurone (2), and eight altholactone derivatives (5-12), were determined in vitro on L-1210 cells. Semisyntheses and structure-activity relationships of these compounds are described. The results of this study suggest that the cytotoxicity of altholactone (1), 11-nitro-altholactone (8), and 7-chloro-6,7-dihydroaltholactone (10) is due to the accumulation of the cells in the G2 + M phase of the cell cycle.

StereochemistryNitro compoundMolecular ConformationPharmaceutical ScienceChemical synthesisAnalytical ChemistryLactonesMiceDrug DiscoveryTumor Cells CulturedAnimalsCytotoxicityLeukemia L1210Pharmacologychemistry.chemical_classificationNew GuineaPlants MedicinalBicyclic moleculeChemistryOrganic ChemistrySemisynthesisAntineoplastic Agents PhytogenicIn vitroComplementary and alternative medicineCell cultureMolecular MedicineDrug Screening Assays AntitumorLactoneJournal of natural products
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Synthesis of tritiated derivatives of the diphenylether herbicides acifluorfen and acifluorfen methyl

1992

Acifluorfen 1 and acifluorfen methyl 2, two herbicides of the diphenylether family, are inhibitors of protoporphyrinogen oxidases. Two tritiated derivatives of these compounds, namely 3-[3H]-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid [3H]-1, and methyl 3-[3H]-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid [3H]-2, have been synthesised from 3-[3H]-5-hydroxybenzoic acid, in order to probe their interactions with the target enzymes.

Stereochemistry[SDV]Life Sciences [q-bio]Nitro compoundEtherAcifluorfenBiochemistryAnalytical Chemistry03 medical and health scienceschemistry.chemical_compoundMALHERBOLOGIEDrug DiscoveryPIPHENYL ETHERRadiology Nuclear Medicine and imagingSYNTHESESpectroscopyComputingMilieux_MISCELLANEOUS030304 developmental biologychemistry.chemical_classification0303 health sciencesTrifluoromethyl030302 biochemistry & molecular biologyOrganic Chemistry3. Good health[SDV] Life Sciences [q-bio]Enzyme inhibitionEnzymeAcifluorfen-methylchemistryProtoporphyrinogen oxidaseCHIMIE ORGANIQUE
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