Search results for "4-OXADIAZOLE"

showing 10 items of 65 documents

Fluorescent Hg2+ Sensors: Synthesis and Evaluation of a Tren-Based Starburst Molecule Containing Fluorinated 1,2,4-Oxadiazoles.

2010

A new tren-based starburst molecule containing fluorinated 1,2,4-oxadiazoles as fluorophores has been synthesized and its sensing behavior toward several metal cations has been investigated by UV/Vis, fluorescence, 1 H NMR and 19 F NMR spectroscopy. Selective sensing for Hg 2+ ions through a PET-based mechanism was evidenced, suggesting application as fluorescent sensor for Hg 2+ of the off-on type.

FluorophoreStereochemistryOrganic ChemistryNuclear magnetic resonance spectroscopySettore CHIM/06 - Chimica OrganicaPhotochemistryFluorescenceChemical synthesischemistry.chemical_compoundElectron transferchemistryProton NMRMoleculePhysical and Theoretical ChemistrySelectivity124-Oxadiazoles Sensors Electron transfer Fluorinated ligands Mercury
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Ammonium formate-Pd/C as a new reducing system for 1,2,4-oxadiazoles. Synthesis of guanidine derivatives and reductive rearrangement to quinazolin-4-…

2021

1,2,4-Oxadiazole is a heterocycle with wide reactivity and many useful applications. The reactive O-N bond is usually reduced using molecular hydrogen to obtain amidine derivatives. NH4CO2H-Pd/C is here demonstrated as a new system for the O-N reduction, allowing us to obtain differently substituted acylamidine, acylguanidine and diacylguanidine derivatives. The proposed system is also effective for the achievement of a reductive rearrangement of 5-(2′-aminophenyl)-1,2,4-oxadiazoles into 1-alkylquinazolin-4(1H)-ones. The alkaloid glycosine was also obtained with this method. The obtained compounds were preliminarily tested for their biological activity in terms of their cytotoxicity, induce…

Formatesquinazolin-4-onemedicine.disease_causeGuanidineschemistry.chemical_compoundBiology (General)CytotoxicityAmmonium formateSpectroscopyOxadiazolesMolecular StructureChemistryAlkaloidBiological activityGeneral MedicineComputer Science ApplicationsChemistryOxidation-ReductionPalladiumCell SurvivalQH301-705.5Dipeptidyl Peptidase 4chemistry.chemical_elementAntineoplastic AgentsreductionArticleCatalysisInorganic ChemistryAmidine4-oxadiazolereduction;Cell Line TumorDiabetes MellitusAmmonium formatemedicineHumansHypoglycemic AgentsReactivity (chemistry)Physical and Theoretical ChemistryMolecular BiologyQD1-999QuinazolinonesSettore MED/04 - Patologia GeneralediacylguanidineOrganic Chemistry124-oxadiazolealpha-GlucosidasesacylguanidineSettore CHIM/06 - Chimica OrganicapalladiumCombinatorial chemistryModels ChemicalA549 CellsOxidative stress
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Synthesis of Fluorinated Indazoles Through ANRORC-Like Rearrangement of 1,2,4-Oxadiazoles with Hydrazine.

2006

A series of 6-substituted fluorinated indazoles has been obtained through an ANRORC-like rearrangement (Addition of Nucleophile, Ring-Opening and Ring-Closure) of 5-tetrafluorophenyl-1,2,4-oxadiazoles with hydrazine. The initial addition of the bidentate nucleophile to the electrophilic C(5) of the 1,2,4-oxadiazole ring, followed by ring opening and ring closure, leads to the formation of fluorinated indazoles in high yield under mild experimental conditions. Functionalization of the C(6) in the final indazole nucleus was preliminarily achieved through a nucleophilic aromatic substitution on the starting 5-pentafluorophenyl-1,2,4-oxadiazole.

IndazoleDenticityOrganic ChemistryHydrazine124-oxadiazoleGeneral MedicineRing (chemistry)BiochemistryMedicinal chemistrychemistry.chemical_compoundchemistryNucleophileNucleophilic aromatic substitutionYield (chemistry)Drug DiscoveryElectrophileindazoleOrganic chemistryfluorinated heterocycleANRORC-like rearrangementsChemInform
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1,2,4-Oxadiazole topsentin analogs as staphylococcal biofilm inhibitors targeting the bacterial transpeptidase sortase A

2020

The inhibition or prevention of biofilm formation represents an emerging strategy in the war against antibiotic resistance, interfering with key players in bacterial virulence. This approach includes the inhibition of the catalytic activity of transpeptidase sortase A (Srt A), a membrane enzyme responsible for covalently attaching a wide variety of adhesive matrix molecules to the peptidoglycan cell wall in Gram-positive strains. A new series of seventeen 1,2,4-oxadiazole derivatives was efficiently synthesized and screened as potential new anti-virulence agents. The ability of inhibiting biofilm formation was evaluated against both Gram-positive and Gram-negative pathogens. Remarkably, all…

Indoles124-Oxadiazoles Antibiofilm activity Sortase A inhibitors Anti-virulence agents Marine alkaloids Topsentin analogs01 natural scienceslaw.inventionchemistry.chemical_compoundMarine alkaloidslawDrug DiscoveryPathogenchemistry.chemical_classificationOxadiazoles0303 health sciencesChemistry4-OxadiazolesImidazolesGeneral MedicineStaphylococcal InfectionsAminoacyltransferasesAnti-Bacterial AgentsCysteine EndopeptidasesAnti-virulence agentsBiochemistrySortase AAntibiofilm activityPseudomonas aeruginosaTopsentin analogsRecombinant DNA124-Oxadiazoles; Anti-virulence agents; Antibiofilm activity; Marine alkaloids; Sortase A inhibitors; Topsentin analogsStaphylococcus aureus12Sortase A inhibitorsCell LineCell wall03 medical and health sciencesAntibiotic resistanceBacterial Proteins124-OxadiazolesHumansPseudomonas Infections030304 developmental biologyPharmacology010405 organic chemistryOrganic ChemistryBiofilmSettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesEnzymeBiofilmsPeptidoglycan
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A New Oxadiazole-Based Topsentin Derivative Modulates Cyclin-Dependent Kinase 1 Expression and Exerts Cytotoxic Effects on Pancreatic Cancer Cells

2021

Pancreatic ductal adenocarcinoma (PDAC) is a highly lethal form of cancer characterized by drug resistance, urging new therapeutic strategies. In recent years, protein kinases have emerged as promising pharmacological targets for the treatment of several solid and hematological tumors. Interestingly, cyclin-dependent kinase 1 (CDK1) is overexpressed in PDAC tissues and has been correlated to the aggressive nature of these tumors because of its key role in cell cycle progression and resistance to the induction of apoptosis. For these reasons, CDK1 is one of the main causes of chemoresistance, representing a promising pharmacological target. In this study, we report the synthesis of new 1,2,4…

Indolespancreatic cancerPharmaceutical ScienceAntineoplastic AgentsApoptosisArticleAnalytical ChemistryStructure-Activity RelationshipQD241-441CDK1 inhibitorantiproliferativeCatalytic DomainCell Line TumorDrug DiscoveryCDC2 Protein KinaseHumansPhysical and Theoretical ChemistryProtein Kinase InhibitorsCell ProliferationOxadiazolesOrganic ChemistryImidazoles124-oxadiazolePDACmarine alkaloidMolecular Docking SimulationPancreatic NeoplasmsChemistry (miscellaneous)Molecular Medicinemarine alkaloidstopsentinDrug Screening Assays Antitumor124-oxadiazole; marine alkaloids; topsentin; CDK1 inhibitor; pancreatic cancer; PDAC; antiproliferative; apoptosisCarcinoma Pancreatic DuctalProtein BindingSignal TransductionMolecules
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Fluorinated Heterocyclic Compounds. An Effective Strategy for the Synthesis of Fluorinated Z-Oximes of 3-Perfluoroalkyl-6-phenyl-2H-1,2,4-triazin- 5-…

2005

The reaction of 3-benzoyl-5-perfluoroalkyl-1,2,4-oxadiazoles with hydrazine has been investigated, evidencing the possibility of competitive reaction paths. Nucleophilic addition of the hydrazine to the electrophilic C(5) of the 1,2,4-oxadiazole ring, followed by ring opening and ring closure with enlargement, leads with high yield and in very mild experimental conditions to the formation of Z-oximes of 3-perfluoroalkyl-6-phenyl-2H-1,2,4-triazin-5-ones (11a-c) as major products of the reaction. In turn, the hydrazine can attack the electrophilic carbonyl carbon giving 4-perfluoroacylamino-5-phenyl-2H-1,2,3-triazoles (13a-c) through the well-known Boulton-Katritzky rearrangement of the inter…

KetoneTRANSFORMATIONSHydrazineHydrazoneRing (chemistry)Medicinal chemistryChemical synthesisTurn (biochemistry)chemistry.chemical_compoundCHEMISTRYROUTE3-BENZOYL-5-PHENYL-124-OXADIAZOLEOrganic chemistrychemistry.chemical_classificationNucleophilic additionDERIVATIVESOrganic ChemistryREARRANGEMENTS25-BIS(TRIFLUOROMETHYL)-134-OXADIAZOLE124-TRIAZINESSettore CHIM/06 - Chimica OrganicaGeneral MedicineOximeAROMATICITY INDEXchemistryHeterocyclic compoundYield (chemistry)ElectrophileTriazole derivatives5-MEMBERED HETEROCYCLESThe Journal of Organic Chemistry
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Electron Ionization Induced Fragmentation of some 3-Aroylamino-5-Methyl-1,2,4- Oxadiazoles and 3-Acetylamino-5-Aryl-1,2,4-Oxadiazoles

2017

: Background and objectives. 1,2,4-Oxadiazoles show a high reactivity and represent starting compounds for the synthesis of several other heterocycles. Some their derivatives can give the so called Boulton-Katritzky Reactions (BKR) which opens the way to the synthesis of several azoles. For this reason we have registered the mass spectra of several 3-aroylamino-5-methyl-1,2,4-oxadiazoles and 3-acetylamino-5-aryl-1,2,4-oxadiazoles. Methods and results. Thus, studying the mass spectra of the isomeric couple 3-benzoylamino-5-methyl-1,2,4-oxadiazole (1A) and 3-acetylamino-5-phenyl-1,2,4-oxadiazoles (1B) we have observed that MIKE and CID MIKE spectra of their molecular ions and of the [M – CH2C…

Mass spectrometryStereochemistryArylOrganic ChemistryMass spectrometryPhotochemistrychemistry.chemical_compoundEI induced rearrangementchemistryFragmentation (mass spectrometry)Boulton-Katritzky Reactions (BKR)Fragmentation mechanism3-Acylamino-124-oxadiazolesElectron ionization
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On the reaction of some 5-polyfluoroaryl-1,2,4-oxadiazoles with methylhydrazine: synthesis of fluorinated indazoles

2009

The reaction of 5-polyfluoroaryl-1,2,4-oxadiazoles with methylhydrazine has been studied and the synthesis of fluorinated N-methylindazoles has been realized. Rearrangement reactions showed predominantly formation of N(1)-methylindazole regioisomers. Starting compounds were preliminarily functionalized at the polyfluoroaryl moiety through fluorine displacement with nucleophiles (methanol, methylamine, dimethylamine), allowing the obtainment of target indazoles substituted at the C(6) position.

MethylhydrazineIndazoleMethylamineOrganic ChemistrySettore CHIM/06 - Chimica OrganicaBiochemistryMedicinal chemistryChemical synthesischemistry.chemical_compoundchemistryNucleophileDrug DiscoveryStructural isomerMoietyOrganic chemistryDimethylamine124-Oxadiazole Indazole Rearrangements Fluorinated heterocycles
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1,2,4-Oxadiazole Topsentin Analogs with Antiproliferative Activity against Pancreatic Cancer Cells, Targeting GSK3β Kinase.

2021

A new series of topsentin analogs, in which the central imidazole ring of the natural lead was replaced by a 1,2,4- oxadiazole moiety, was efficiently synthesized. All derivatives were pre-screened for antiproliferative activity against the National Cancer Institute (NCI-60) cell lines panel. The five most potent compounds were further investigated in various pancreatic ductal adenocarcinoma (PDAC) cell lines, including SUIT-2, Capan-1, and Panc-1 cells, eliciting EC50 values in the micromolar and sub-micromolar range, associated with significant reduction of cell migration. These remarkable results might be explained by the effects of these new topsentin analogues on epithelial-to-mesenchy…

Models MolecularIndoles124-oxadiazole topsentin analogs; GSK3β kinase; inhibition of migration; PDAC antiproliferative activity; proapoptotic activityApoptosisDrug Screening Assays01 natural sciencesBiochemistrychemistry.chemical_compound124-oxadiazole topsentin analogs; GSK3β kinase; PDAC antiproliferative activity; inhibition of migration; proapoptotic activity; Antineoplastic Agents; Apoptosis; Cell Proliferation; Cell Survival; Dose-Response Relationship Drug; Drug Screening Assays Antitumor; Glycogen Synthase Kinase 3 beta; Humans; Imidazoles; Indoles; Models Molecular; Molecular Structure; Oxadiazoles; Pancreatic Neoplasms; Protein Kinase Inhibitors; Structure-Activity Relationship; Tumor Cells CulturedModelsAnnexinDrug DiscoveryTumor Cells CulturedGSK3β kinaseGeneral Pharmacology Toxicology and Pharmaceutics4-oxadiazole topsentin analogsOxadiazolesCulturedMolecular StructureChemistryKinaseImidazolesCell migrationTumor Cellsinhibition of migrationMolecular MedicineDrugIntracellularPDAC antiproliferative activityproapoptotic activityCell Survival12Antineoplastic AgentsDose-Response RelationshipStructure-Activity RelationshipPancreatic cancermedicineHumansPropidium iodideProtein Kinase InhibitorsCell ProliferationPharmacologyGlycogen Synthase Kinase 3 betaDose-Response Relationship Drug010405 organic chemistryOrganic ChemistryMolecularAntitumormedicine.diseaseSettore CHIM/08 - Chimica FarmaceuticaMolecular biology0104 chemical sciencesPancreatic Neoplasms010404 medicinal & biomolecular chemistryApoptosisCell cultureDrug Screening Assays Antitumor124-oxadiazole topsentin analogChemMedChem
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On the reactivity of nitrosoimidazoles with acids (the Cusmano–Ruccia reaction): a continuous source of new ring-into-ring interconversion

2014

Abstract An extension of the ‘Cusmano–Ruccia’ reaction is reported. 6-(4-chlorophenyl)-3-methyl-5-nitrosoimidazo[2,1- b ]oxazole by the action of hydrochloric acid gives 3-(4-chlorobenzoyl)-5-methyl-1,2,4-oxadiazole ( 13 ); presumably via ammonium ion, CO 2 and methanol elimination. The relevance of the nature of the atom of the B -ring linked to C-2 of the imidazole for the occurrence of the ring-into-ring interconversion has been once more confirmed.

Multi-step processesOrganic ChemistryHydrochloric acidSettore CHIM/06 - Chimica OrganicaRing (chemistry)BiochemistryMedicinal chemistryIonConsedensed nitrosoimidazoles ring-into-ring interconversion multi-step processes 3-acyl-124-oxadiazoleschemistry.chemical_compoundchemistryCondensed nitrosoimidazoleDrug DiscoveryImidazoleAmmoniumReactivity (chemistry)MethanolRing-into-ring interconversionOxazoleTetrahedron Letters
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