Search results for "thiophene"

showing 10 items of 284 documents

CCDC 2060504: Experimental Crystal Structure Determination

2023

Related Article: Marjaana Taimisto, Merja J. Poropudas, J. Mikko Rautiainen, Raija Oilunkaniemi, Risto S. Laitinen|2023|Eur.J.Inorg.Chem.||e202200772|doi:10.1002/ejic.202200772

Space GroupCrystallographyCrystal Systemdicarbonyl-dichloro-bis[22'-tellanyldithiophene]-rutheniumCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1434834: Experimental Crystal Structure Determination

2017

Related Article: A. Chernenkaya, A. Morherr, S. Backes, W. Popp, S. Witt, X. Kozina, S. A. Nepijko, M. Bolte, K. Medjanik, G. Öhrwall, C. Krellner, M. Baumgarten, H. J. Elmers, G. Schönhense, H. O. Jeschke, R. Valentí|2016|J.Chem.Phys.|145|034702|doi:10.1063/1.4958659

Space GroupCrystallographyCrystal Systemdithieno[23-d;2'3'-d']benzo[12-b;45-b']dithiopheneCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1983191: Experimental Crystal Structure Determination

2020

Related Article: V.V. Mossine, S.P. Kelley, T.P. Mawhinney|2020|Acta Crystallogr.,Sect.E:Cryst.Commun.|76|557|doi:10.1107/S2056989020003011

Space GroupCrystallographyN'-[(pyridin-4-yl)methylidene]thiophene-2-carbohydrazideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1050036: Experimental Crystal Structure Determination

2015

Related Article: Lucía Piñeiro-López, Zulema Arcís-Castillo, M. Carmen Muñoz, and José A. Real|2014|Cryst.Growth Des.|14|6311|doi:10.1021/cg5010616

Space GroupCrystallographycatena-[bis(mu-246-tri(pyridin-4-yl)-135-triazine)-dodecakis(mu-cyano)-tri-iron-hexa-silver thiophene solvate]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Synthesis and biological evaluation of 2- and 3-aminobenzo[b]thiophene derivatives as antimitotic agents and inhibitors of tubulin polymerization.

2007

Two new series of inhibitors of tubulin polymerization based on the 2-amino-3-(3,4,5-trimethoxybenzoyl)benzo[b]thiophene molecular skeleton and its 3-amino positional isomer were synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization, and cell cycle effects. Although many more 3-amino derivatives have been synthesized so far, the most promising compound in this series was 2-amino-6-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]thiophene, which inhibits cancer cell growth at subnanomolar concentrations and interacts strongly with tubulin by binding to the colchicine site.

StereochemistryAntimitotic Agents/chemistry Antimitotic Agents/pharmacologymacromolecular substancesThiophenesAntimitotic AgentsChemical synthesischemistry.chemical_compoundMiceRadioligand AssayStructure-Activity RelationshipTubulinCell Line TumorDrug DiscoveryThiopheneStructure–activity relationshipAnimalsHumansCytotoxicityCell ProliferationBinding SitesbiologyBicyclic moleculeChemistryTubulin ModulatorsCell CycleTubulin ModulatorsTubulinbiology.proteinMolecular MedicineAntimitotic AgentDrug Screening Assays AntitumorColchicineProtein BindingJournal of medicinal chemistry
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Mono- and di-nuclear complexes of ortho-palladated and -platinated 4,4′-dimethylazobenzene with bis(diphenylphosphino)methane. More data on transphob…

2002

Abstract Complexes [Pd(κ2-R)(μ-Cl)]2 [κ2-R=κ2-C,N′-C6H3(NNC6H4Me-4′)-2-Me-5 (1)] and [Pd(κ1-R)Cl(κ1-dppm)(κ2-dppm)]TfO [dppm=bis(diphenylphosphino)methane (2)] have been used to prepare new palladium derivatives containing dppm. Thus, complex 1 reacts with one equivalent of dppm to afford [{Pd(κ2-R)Cl}2(μ-dppm)] (3) and with AgClO4 and dppm (1:2:2 molar ratios) to give [Pd(κ2-R)(κ2-dppm)]ClO4 (4·ClO4). The triflate salt of this complex (4·TfO) reacts with PPh3 to yield [Pd(κ1-R)(PPh3)(κ2-dppm)]TfO (5). Dinuclear complexes were obtained by reacting 2, (i) with [AuCl(PPh3)] or [AuCl(tht)] (tht=tetrahydrothiophene) (1:1, −60 °C) and (ii) with 1 (2:1) to give, respectively, [Pd(κ1-R)Cl(μ-dppm…

StereochemistryArylDimerOrganic Chemistrychemistry.chemical_elementMonoxideCrystal structureBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundchemistryMaterials ChemistryChelationPhysical and Theoretical ChemistryTrifluoromethanesulfonateTetrahydrothiophenePalladiumJournal of Organometallic Chemistry
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Efficient synthesis and 5-LOX/COX-inhibitory activity of some 3-hydroxybenzo[b]thiophene-2-carboxylic acid derivatives

2012

Abstract A series of 3-hydroxybenzo[ b ]thiophene-2-carboxylic acid derivatives has been prepared and subsequently evaluated with regards to the inhibition of 5-LOX/COX. Structure optimization furnished derivatives with promising in vitro activity as dual 5-LOX/COX inhibitors with submicromolar IC 50 values for inhibition of 5-LOX and COX-1, respectively.

StereochemistryCarboxylic acidClinical BiochemistryCarboxylic AcidsPharmaceutical ScienceThiophenesInhibitory postsynaptic potentialBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundDrug DiscoveryThiopheneCyclooxygenase InhibitorsLipoxygenase InhibitorsMolecular Biologychemistry.chemical_classificationArachidonate 5-Lipoxygenaseintegumentary systemOrganic Chemistryfood and beveragesBenzothiopheneIn vitrochemistryCyclooxygenase 1Molecular MedicineLicofeloneProtein BindingBioorganic & Medicinal Chemistry Letters
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Metalation of aromatic heterocycles by yttrium alkyl complexes that contain a linked amido-cyclopentadienyl ligand: synthesis, structure and Lewis ba…

2002

Abstract The reaction of the half-sandwich alkyl complex [Y(η5:η1-C5Me4SiMe2NCMe3)(CH2SiMe3)(THF)] with furan and thiophene gives metalation products [Y(η5:η1-C5Me4SiMe2NCMe3)(μ-2-C4H3X)]2 (X=O, S) which are sparingly soluble in hydrocarbons due to the dimeric structure. Single crystal X-ray structure analysis of the 2-thienyl complex confirms a six-membered core with bridging sulfur atoms and trans-disposed amido-tetramethylcyclopentadienyl ligands. In contrast to THF and pyridine, 1,2-dimethoxyethane (DME) forms isolable, crystalline adducts [Y(η5:η1-C5Me4SiMe2NCMe3)(2-C4H3X)(DME)]. Single crystal X-ray structure analysis of the 2-furyl derivative shows a four-legged piano stool configura…

StereochemistryMetalationOrganic ChemistryBiochemistryMedicinal chemistryAdductInorganic Chemistrychemistry.chemical_compoundchemistryCyclopentadienyl complexFuranPyridineMaterials ChemistryThiopheneLewis acids and basesPhysical and Theoretical ChemistryPyrroleJournal of Organometallic Chemistry
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Antibodies directed to drug epitopes to investigate the structure of drug-protein photoadducts. Recognition of a common photobound substructure in ti…

2001

Drug-induced photoallergy is an immune adverse reaction to the combined effect of drugs and light. From the mechanistic point of view, it first involves covalent binding of drug to protein resulting in the formation of a photoantigen. Hence, determination of the structures of drug-protein photoadducts is of great relevance to understand the molecular basis of photoallergy and cross-immunoreactivity among drugs. Looking for new strategies to investigate the covalent photobinding of drugs to proteins, we generated highly specific antibodies to drug chemical substructures. The availability of such antibodies has allowed us to discriminate between the different modes by which tiaprofenic acid (…

StereochemistrySuprofenSuprofenPlasma protein bindingThiophenesToxicologyEpitopeAntibodieschemistry.chemical_compoundEpitopesStructure-Activity RelationshipThiophenemedicineMoietyStructure–activity relationshipAnimalsHumansDermatitis PhotoallergicAnti-Inflammatory Agents Non-SteroidalBenzeneGeneral MedicinechemistryCovalent bondKetoprofenAntibody FormationRabbitsPropionatesTiaprofenic acidmedicine.drugProtein BindingChemical research in toxicology
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On the reaction of 3-bromo-2-nitrobenzo[b]thiophene with some ortho-substituted anilines: an analysis of the products of reaction and of their NMR an…

2003

Abstract The title reaction, carried out in DMF in the presence of triethylamine or potassium carbonate, has furnished the ‘expected’ 3-amino-2-nitrobenzo[ b ]thiophenes 2 o together with the ‘unexpected’ 2-amino-3-nitrobenzo[ b ]thiophenes 3 o , thus recalling the situation observed with other weak nucleophiles in the presence of non-nucleophilic bases. The effects (electronic as well as steric) of the ortho -substituent (OH, NH 2 , OMe, Me, Et, F, Cl and Br) on the course of the reaction have been investigated, determining their influence on yields and product ratios ( 2 o / 3 o ). An analysis of 13 C NMR and MS spectra of 2 o and 3 o has been carried out. Ab initio computations on 2 o f …

Steric effectsChemistryOrganic ChemistrySubstituentCarbon-13 NMRBiochemistryMedicinal chemistryPotassium carbonatechemistry.chemical_compoundNucleophileNucleophilic aromatic substitutionDrug DiscoveryThiopheneTriethylamineTetrahedron
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