Search results for "combinatorial"

showing 10 items of 1208 documents

ChemInform Abstract: Cross-Dehydrogenative Couplings Between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation vi…

2014

Cross-dehydrogenative coupling reactions between β-ketoesters and electron-rich arenes, such as indoles, proceed with high regiochemical fidelity with a range of β-ketoesters and indoles. The mechanism of the reaction between a prototypical β-ketoester, ethyl 2-oxocyclopentanonecarboxylate, and N-methylindole has been studied experimentally by monitoring the temporal course of the reaction by (1)H NMR, kinetic isotope effect studies, and control experiments. DFT calculations have been carried out using a dispersion-corrected range-separated hybrid functional (ωB97X-D) to explore the basic elementary steps of the catalytic cycle. The experimental results indicate that the reaction proceeds v…

Indole testElectron transferchemistry.chemical_compoundchemistryCatalytic cycleLigandDehydrogenationGeneral MedicineCombinatorial chemistryTautomerEnoneCoupling reactionChemInform
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ChemInform Abstract: Progress in Palladium-Based Catalytic Systems for the Sustainable Synthesis of Annulated Heterocycles: A Focus on Indole Backbon…

2012

A survey highlighting the most recent palladium catalytic systems produced and their performances for progress in direct synthesis of indole backbones by heterocarbocyclization of reactive substrates is provided. The discussion is developed in relation with the principles of sustainable chemistry concerning atom and mass economy. In this respect, the general convergent character of the syntheses is of particular interest (one-pot, domino, cascade or tandem reactions), and the substrates accessibility and reactivity, together with the final waste production, are also important. This critical review clearly indicates that the development of ligand chemistry, mainly phosphines and carbenes, in…

Indole testGreen chemistrychemistryWaste productionLigandchemistry.chemical_elementReactivity (chemistry)General MedicineCombinatorial chemistryCatalysisPalladiumChemInform
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Gold(I)-catalysed cascade reactions in the synthesis of 2,3-fused indole derivatives.

2015

A gold(I)-catalysed hydroaminative/arylative cascade for the efficient synthesis of a variety of indole-fused skeletons has been developed. Factors controlling the catalyst loading required in these transformations involving 1,3-unsubstituted indole intermediates have been revealed, allowing isolation of an unprecedented 1,3-dimetallated 3H-indole gold complex characterized by X-ray diffraction.

Indole testIndolesChemistryMetals and AlloysGeneral ChemistryCombinatorial chemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCatalysisX-Ray DiffractionCascadeMaterials ChemistryCeramics and CompositesOrganic chemistryGoldChemical communications (Cambridge, England)
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Cross-Dehydrogenative Couplings between Indoles and beta-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assiste…

2014

Cross-dehydrogenative coupling reactions between β-ketoesters and electron-rich arenes, such as indoles, proceed with high regiochemical fidelity with a range of β-ketoesters and indoles. The mechanism of the reaction between a prototypical β-ketoester, ethyl 2-oxocyclopentanonecarboxylate, and N-methylindole has been studied experimentally by monitoring the temporal course of the reaction by (1)H NMR, kinetic isotope effect studies, and control experiments. DFT calculations have been carried out using a dispersion-corrected range-separated hybrid functional (ωB97X-D) to explore the basic elementary steps of the catalytic cycle. The experimental results indicate that the reaction proceeds v…

Indole testLigandGeneral ChemistryPhotochemistryBiochemistryTautomerCombinatorial chemistryCatalysisCoupling reactionchemistry.chemical_compoundElectron transferColloid and Surface ChemistrychemistryCatalytic cycleDehydrogenationEnoneta116Journal of the American Chemical Society
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Synthesis of 7-Pentafluorophenyl-1H-indole: An Anion Receptor for Anion–π Interactions

2014

7-Pentafluorophenyl-1H-indole has the potential to be a key compound for the investigation of anion–π interactions in solution. Unfortunately, it was not possible to obtain it by aryl–aryl coupling reaction. Finally, it has been prepared by Bartoli indole synthesis. The key compound as well as analogues were submitted to preliminary studies of anion binding. Single crystals of two key receptors were obtained.

Indole testMolecular recognitionChemistryStereochemistryOrganic ChemistryChemieHalideBartoli indole synthesisAnion bindingCombinatorial chemistryAnion receptorCoupling reactionIonSynlett
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Natural Product Synthesis on Polymeric Supports—Synthesis and Biological Evaluation of an Indolactam Library

1999

Potent activators of protein kinase C in fibroblasts: This property was determined for several indolactam V analogues (1) with a new cell-based assay system. This tumor-promoting indole alkaloid and analogues thereof can be synthesized efficiently on the solid phase. The key steps of the combinatorial approach are a regioselective amination of the indole ring and an enantioselective enzymatic reaction.

Indole testNatural productIndole alkaloidStereochemistryEnantioselective synthesisTotal synthesisRegioselectivityGeneral ChemistryCombinatorial chemistryCatalysischemistry.chemical_compoundSolid-phase synthesischemistryAminationAngewandte Chemie International Edition
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ChemInform Abstract: Palladium-Catalyzed Dehydrogenative β′-Functionalization of β-Keto Esters with Indoles at Room Temperature.

2012

The dehydrogenative β′-functionalization of α-substituted β-keto esters with indoles proceeds with high regioselectivities (C3-selective for the indole partner and β′-selective for the β-keto ester) and good yields under mild palladium catalysis at room temperature with a variety of oxidants. Two possible mechanisms involving either late or early involvement of indole are presented.

Indole testchemistrychemistry.chemical_elementSurface modificationGeneral MedicineCombinatorial chemistryPalladiumCatalysisChemInform
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SYNTHESIS AND PHOTOCHEMIOTHERAPEUTIC ACTIVITY OF THIOPYRANO[2,3-E]INDOL-2-ONES

2004

A series of derivatives of the new ring system thiopyrano[2,3-e]indol-2-one was prepared with the aim of obtaining new photochemotherapeutic drugs. Biological screenings were performed on this new class of photoactivable drugs and a strong antiproliferative effect was observed upon irradiation with UVA light. The compound bearing a methyl substituent at the pyrrole nitrogen resulted as the most interesting showing IC50 in the nanomolar range.

IndolesCell SurvivalUltraviolet RaysStereochemistryClinical BiochemistrySubstituentPharmaceutical ScienceHL-60 CellsRing (chemistry)BiochemistryChemical synthesischemistry.chemical_compoundCell Line TumorDrug DiscoveryThiolactoneHumansPhotosensitizerCytotoxicityMolecular BiologyIC50PyransPyrrolePhotosensitizing AgentsChemistryOrganic ChemistryDNA NeoplasmCombinatorial chemistrySettore CHIM/08 - Chimica FarmaceuticaThiopyrano-indoles Photochemotherapeutic activity Apoptosis inductionPhotochemotherapyMolecular MedicineCell Division
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Synthesis of Functionalized Indoles with a Trifluoromethy-Substituted Stereogenic Tertiary Carbon Atom Through an Enantioselective Friedel-Crafts Alk…

2010

[EN] Chiral complexes of BINOL-based ligands with zirconium tert-butoxide catalyze the Friedel-Crafts alkylation reaction of indoles with beta-trifluoromethyl-alpha,beta-unsaturated ketones to give functionalized indoles with an asymmetric tertiary carbon center attached to a trifluoromethyl group. The reaction can be applied to a large number of substituted alpha-trifluoromethyl enones and substituted indoles. The expected products were obtained with good yields and ees of up to 99%.

IndolesHydrocarbons FluorinatedAlkylationEnonesStereoisomerismAlkylationElectrophilic aromatic substitutionLigandsMedicinal chemistryCatalysisCatalysisStereocenterchemistry.chemical_compoundAsymmetric catalysisOrganic chemistryCombinatorial Chemistry TechniquesAromatic substitutionFriedel–Crafts reactionTrifluoromethylMolecular StructureChemistryOrganic ChemistryEnantioselective synthesisStereoisomerismGeneral ChemistryKetonesCarbonFISICA APLICADAZirconiumFluorinated compounds
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Synthesis and Antitumor Activity of 3-(2-Phenyl-1,3-thiazol-4-yl)-1H-indoles and 3-(2-Phenyl-1,3-thiazol-4-yl)-1H-7-azaindoles

2011

Given the potent antimicrobial, antiviral, and antitumor activities of many natural products, there is an increasing interest in the synthesis of new molecules based on natural compound scaffolds. Based on a 2,4-bis(3'-indolyl)imidazole skeleton, two new series of phenylthiazolylindoles and phenylthiazolyl-7-azaindoles were obtained by Hantzsch reaction between substituted phenylthioamides and the α-bromoacetyl derivatives. Some azaindole derivatives, tested at the National Cancer Institute against a panel of ∼60 tumor cell lines derived from nine human cancer cell types, showed inhibitory effects against all cell lines investigated at micromolar to nanomolar concentrations. Two of them exh…

IndolesStereochemistry3-(2-Phenyl-1; 3-thiazol-4-yl)-1H-indoles; 3-(2-Phenyl-1; 3-thiazol-4-yl)-1H-7-azaindoles; Nortopsentins; Antitumor activityAntineoplastic AgentsTumor cells3-thiazol-4-yl)-1H-7-azaindolesBiochemistry3-(2-Phenyl-13-thiazol-4-yl)-1H-indolechemistry.chemical_compoundCell Line TumorNeoplasmsCDC2 Protein KinaseDrug DiscoveryHumansImidazoleGeneral Pharmacology Toxicology and PharmaceuticsProtein Kinase InhibitorsPharmacologyAntitumor activityNortopsentins3-thiazol-4-yl)-1H-indolesChemistryKinaseNatural compoundNortopsentinOrganic Chemistry3-(2-Phenyl-1AntimicrobialCombinatorial chemistryThiazolesCell culture3-(2-Phenyl-13-thiazol-4-yl)-1H-7-azaindoleMolecular MedicineDrug Screening Assays AntitumorAntitumor activityHuman cancer
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