Search results for " Synthesis"

showing 10 items of 1625 documents

Design, synthesis, and SAR analysis of cytotoxic sinapyl alcohol derivatives.

2005

Five series totalling 51 of sinapyl alcohol derivatives were designed and synthesized. Their cytotoxicity analyses were performed oil six human tumor cell lines Such as PC-3. CNE, KB, A549, BEL-7404, and HeLa. Certain sinapyl alcohol derivatives showed significant cytotoxic activities. Compound 14d exhibited especially potent cytotoxicity against the BEL-7404 cell line with an IC50 value of 0.7 mu M, which showed more cytotoxic activity than the positive control, cisplatin. The structure-cytotoxicity relationships were discussed and the CoMFA analysis was performed using the cytotoxic data against HeLa cells as a template. (c) 2005 Elsevier Ltd. All rights reserved.

Models MolecularClinical BiochemistryPharmaceutical ScienceQuantitative Structure-Activity RelationshipAntineoplastic AgentsBiochemistryChemical synthesisHeLachemistry.chemical_compoundInhibitory Concentration 50Cell Line TumorDrug DiscoveryElectrochemistryCytotoxic T cellHumansCytotoxicityMolecular BiologyIC50biologyPhenylpropionatesOrganic Chemistrybiology.organism_classificationIn vitroSinapyl alcoholchemistryBiochemistryCell cultureDrug DesignMolecular MedicineDrug Screening Assays AntitumorHeLa CellsBioorganicmedicinal chemistry
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Inhibitors of inducible NO synthase expression: total synthesis of (S)-curvularin and its ring homologues.

2008

(S)-Curvularin and its 13-, 14-, and 16-membered lactone homologues were synthesized through a uniform strategy in which a Kochi oxidative decarboxylation and ring-closing metathesis reactions constitute the key processes. In the evaluation of the anti-inflammatory effects of the synthesized compounds in assays using cells stably transfected with a human iNOS promoter-luciferase reporter gene construct, the 14- and 16-membered homologues showed a slightly higher inhibitory effect towards iNOS promoter activity than curvularin itself. However, the larger ring homologues also exhibited higher cytotoxicity, manifest in downregulated eNOS promoter activity. In contrast, the di-O-acetyl and 4-ch…

Models MolecularDrug Evaluation PreclinicalNitric Oxide Synthase Type IICrystallography X-RayBiochemistryGene Expression Regulation EnzymologicCell LineLactonesEnosDrug DiscoveryHumansGeneral Pharmacology Toxicology and PharmaceuticsEnzyme InhibitorsCytotoxicityPromoter Regions GeneticOxidative decarboxylationPharmacologychemistry.chemical_classificationReporter genebiologyMolecular StructureChemistryOrganic ChemistryTotal synthesisStereoisomerismCurvularinTransfectionbiology.organism_classificationBiochemistryCyclizationMolecular MedicineZearalenoneLactoneHeLa CellsChemMedChem
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Cooperative Assistance in Bifunctional Organocatalysis: Enantioselective Mannich Reactions with Aliphatic and Aromatic Imines

2012

both of which contain a thiourea moiety (Scheme 1).The catalysts are capable of deprotonating suitable nucleo-philes, such as activated carbonyl compounds. This proton-transfer reaction generates an ion pair, which is composed ofthe protonated catalyst and the anionic nucleophile interact-ing through hydrogen bonds. At least one of the NH moietiesin the protonated catalyst is involved in activating theelectrophilic reaction partner.

Models MolecularHydrogen bond catalysisImineEnantioselective synthesisHydrogen BondingStereoisomerismGeneral MedicineGeneral ChemistryCrystallography X-RayMalonatesCatalysisCatalysischemistry.chemical_compoundchemistryNucleophileOrganocatalysisPolymer chemistryOrganic chemistryMoietyIminesAmino AcidsBifunctionalta116Angewandte Chemie International Edition
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Synthesis and Biological Evaluation of 1-Methyl-2-(3',4',5'-trimethoxybenzoyl)-3-aminoindoles as a New Class of Antimitotic Agents and Tubulin Inhibi…

2008

The 2-(3,4,5-trimethoxybenzoyl)-2-aminoindole nucleus was used as the fundamental structure for the synthesis of compounds modified with respect to positions C-4 to C-7 with different moieties (chloro, methyl, or methoxy). Additional structural variations concerned the indole nitrogen, which was alkylated with small alkyl groups such as methyl or ethyl. We have identified 1-methyl-2-(3,4,5-trimethoxybenzoyl)-3-amino-7-methoxyindole as a new highly potent antiproliferative agent that targets tubulin at the colchicine binding site and leads to apoptotic cell death.

Models MolecularIndolesStereochemistryAlkylationAntimitotic AgentsChemical synthesisMiceStructure-Activity RelationshipBiopolymersTubulinCell Line TumorDrug DiscoveryStructure–activity relationshipAnimalsHumansIndole testBinding SitesbiologyTubulin ModulatorsChemistryBiological activityTubulin ModulatorsTubulinbiology.proteinMolecular MedicineAntimitotic AgentDrug Screening Assays AntitumorColchicineProtein Binding
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Variations of acidic functions at position 2 and substituents at positions 4, 5 and 6 of the indole moiety and their effect on NMDA-glycine site affi…

2003

The synthetic procedures to obtain indole derivatives with different acidic functions at position 2 of the indole are reported. The synthesised and tested derivatives comprise 5-tetrazolyl, 1,3,4-oxadiazol-5-yl-2-one, and indole-2-carboxylic acid amides with 5-aminotetrazole, methanesulphonamide and trifluoromethanesulphonamide moieties. The binding affinity was evaluated using [3H]MDL 105,519 and pig cortical brain membranes. In general, compounds with acidic functions different from a carboxylic acid moiety are less potent than indole-2-carboxylic acid derivatives. Also, the 4,6-dichloro substitution pattern was compared to 5-tert-butyl derivatives and compounds not substituted in the ben…

Models MolecularIndolesSwineStereochemistryCarboxylic acidGlycineReceptors N-Methyl-D-AspartateChemical synthesisInhibitory Concentration 50Radioligand AssayStructure-Activity Relationshipchemistry.chemical_compoundDrug DiscoveryAnimalsMoietyBenzeneImideCerebral CortexPharmacologyIndole testchemistry.chemical_classificationBinding SitesBicyclic moleculeCell MembraneOrganic ChemistryGeneral MedicineLigand (biochemistry)MembranechemistryGlycineHydantoin derivativesNMDA receptorEuropean Journal of Medicinal Chemistry
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A surprising switch in absolute configuration of anti-inflammatory macrolactones.

2016

Oxacyclododecindione-type macrolactones exhibit highly potent anti-inflammatory activities even at nanomolar concentration. After the determination of the relative configuration of the stereocenters at C14 and C15 by total synthesis of 4-dechloro-14-deoxyoxacyclododecindione and 14-deoxyoxacyclododecindione, the absolute configuration has now been assigned by X-ray crystallography. Surprisingly, the absolute configuration is (14S,15R) which differs for C15 from that of the well-known derivatives of (S)-curvularin. The biological activities of both enantiomers of 14-deoxyoxacyclododecindione, obtained by racemic synthesis and optical resolution, were investigated and the ring conformation of…

Models MolecularMacrocyclic CompoundsStereochemistryAnti-Inflammatory AgentsMolecular ConformationStereoisomerism010402 general chemistryRing (chemistry)Crystallography X-Ray01 natural sciencesBiochemistryStereocenterchemistry.chemical_compoundHumansPhysical and Theoretical ChemistryNatural product010405 organic chemistryChemistryOrganic ChemistryAbsolute configurationTotal synthesisStereoisomerismCurvularinHep G2 Cells0104 chemical sciencesEnantiomerOrganicbiomolecular chemistry
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The synthesis, structure and properties of N-acetylated derivatives of ethyl 3-amino-1H-pyrazole-4-carboxylate.

2007

Ethyl 3-amino-1H-pyrazole-4-carboxylate (1) was yielded through total synthesis and reacted with acetic anhydride to give the acetylated products 2-6. Compounds 1-6 were studied with HPLC, X-ray, FT-IR, (1)H-NMR, (13)C-NMR and MS. Acetylation was carried out in solvents of various polarity, namely; chloroform; dioxane; DMF; acetic anhydride, at room temperature and at boiling points; and in the presence and absence of DMAP. The acetylated products are mainly nitrogen atoms in the ring. The position of the ring proton in the solution was based on NOESY; multinuclear HMBC, HSQC spectra and calculations. For equivalent amounts (1-1.5 mol) of acetic anhydride at room temperature two products of…

Models MolecularMagnetic Resonance Spectroscopy13C-NMR spectraAcetic AnhydridesRing (chemistry)Crystallography X-RayCatalysisCatalysischemistry.chemical_compoundDrug DiscoverySpectroscopy Fourier Transform InfraredOrganic chemistry4-AminopyridineFT-IR spectraChromatography High Pressure Liquidhetareneamino acidChloroformTemperatureTotal synthesisAcetylationGeneral ChemistryGeneral MedicineNuclear magnetic resonance spectroscopyhydrogen bondingSolventAcetic anhydridechemistry1H-NMR spectraDimethylformamidePyrazolesIndicators and ReagentsChromatography Thin LayerChemicalpharmaceutical bulletin
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New antitumoral acetogenin ‘Guanacone type’ derivatives: Isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

2007

We describe herein the isolation and semisynthesis of four acetogenin derivatives (1-4) as well as their ability to inhibit the mitochondrial respiratory chain and several tumor cell lines. In addition, four nanoseconds (ns) of MD simulation of compound 4, in a fully hydrated POPC bilayer, is reported.

Models MolecularMagnetic Resonance SpectroscopyAcetogeninsStereochemistryLipid BilayersClinical BiochemistryMolecular ConformationRespiratory chainPharmaceutical ScienceBiochemistryChemical synthesisAnnonaElectron TransportLactoneschemistry.chemical_compoundPolyketideCell Line TumorDrug DiscoveryHumansComputer SimulationFuransMolecular BiologyPOPCBilayerOrganic ChemistryHydrogen BondingAntineoplastic Agents PhytogenicSemisynthesisMitochondrial respiratory chainchemistrySeedsAcetogeninPhosphatidylcholinesMolecular MedicineIndicators and ReagentsFatty AlcoholsBioorganic & Medicinal Chemistry
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Synthesis of enantiopure pyrrolidine-derived peptidomimetics and oligo-beta-peptides via nucleophilic ring-opening of beta-lactams.

2006

The synthesis of the two enantiomers of pyrrolidine-derived spiro beta-lactams by resolution with D- and L-Boc phenylalanine is described. The potential of these optically active spiro beta-lactams on the synthesis of peptidomimetics as analogues of melanostatin is evaluated. Theoretical studies of several models, at the Becke3LYP/6-31+G* level of theory, together with previous experimental evidences from our group, gathered by NMR, allow us to design structures that can efficiently mimic some biologically active peptide-type molecules. On the other hand, the spiro beta-lactams have shown their utility in the preparation of beta-peptides. As an example, a homo-tetra-beta-peptide was synthes…

Models MolecularMagnetic Resonance SpectroscopyPyrrolidinesPeptidomimeticStereochemistryStereoisomerismRing (chemistry)beta-LactamsChemical synthesisPyrrolidinechemistry.chemical_compoundNucleophileβ lactamschemistry.chemical_classificationOrganic ChemistryMolecular MimicryStereoisomerismNuclear magnetic resonance spectroscopyGeneral MedicineMSH Release-Inhibiting HormoneAmino acidEnantiopure drugchemistryDrug DesignLactamOligopeptidesThe Journal of organic chemistry
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Stereoselective synthesis of the published structure of feigrisolide A. Structural revision of feigrisolides A and B.

2006

The total synthesis of the proposed structure of feigrisolide A is reported. Ethyl (S)-3-hydroxybutyrate was the chiral starting material. A Brown asymmetric allylation and an Evans aldol reaction were key steps of the synthesis. The NMR data of the synthetic product are different from those of the natural product. The published structure of feigrisolide A is therefore erroneous. A subsequent comparison of spectral data strongly suggests that feigrisolides A and B are identical with (-)-nonactic acid and (+)-homononactic acid, respectively.

Models MolecularMagnetic Resonance SpectroscopyStereochemistryMolecular ConformationStereoisomerismChemical synthesischemistry.chemical_compoundLactonesStructure-Activity RelationshipAldol reactionSpectral dataNatural productMolecular StructureChemistryorganic chemicalsOrganic ChemistryEnantioselective synthesisTotal synthesisStereoisomerismGeneral MedicineNuclear magnetic resonance spectroscopyNmr dataAnti-Bacterial AgentsProduct (mathematics)Aldol condensationStereoselectivityThe Journal of organic chemistry
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