Search results for "isoxazole"

showing 10 items of 100 documents

4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine

2006

In the title compound, C17H15FN2O, the exocyclic bond angles at the C atoms of the isoxazole ring bearing the pyridyl and 4-fluoro­phenyl substituents are 129.66 (17) and 134.58 (16)°, respectively. The structure was determined in a study of the mol­ecular geometry of isoxazole derivatives with biological activity as MAPK inhibitors.

chemistry.chemical_compoundMolecular geometryMAPK InhibitorschemistryStereochemistryPyridineGeneral Materials ScienceBiological activityGeneral ChemistryIsoxazoleCondensed Matter PhysicsRing (chemistry)IsopropylActa Crystallographica Section E Structure Reports Online
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A Photochemical One-Pot Three-Component Synthesis of Tetrasubstituted Imidazoles

2014

Tetrasubstituted imidazoles can be formed in a photochemical one-pot synthesis from aldehydes, α-aminonitriles, and isoxazoles. Condensation of the first two components produces α-(alkylideneamino)nitriles which react under basic conditions with the acylazirines formed in situ by photochemical ring transformation of the isoxazole component. This process includes an unusual cleavage of the C(2)-C(3) bond of the acylazirine. The reaction mechanism was studied by DFT calculations.

chemistry.chemical_compoundReaction mechanismchemistryComponent (thermodynamics)Organic ChemistryCondensationPhysical and Theoretical ChemistryIsoxazoleCleavage (embryo)Ring (chemistry)PhotochemistryBiochemistryOrganic Letters
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Crystal structure of 5-(4-tert-butoxyphenyl)-3-(4-n-octyloxyphenyl)-4,5-dihydroisoxazole

2019

The molecule of the title compound, C27H37NO3, was prepared by [3 + 2] 1,3-dipolar cycloaddition of 4-n-octylphenylnitrile oxide and 4-tert-butoxystyrene, the latter compound being a very useful intermediate to the synthesis of liquid-crystalline materials. In the molecule, the benzene rings of the n-octyloxyphenyl and tert-butoxyphenyl groups form dihedral angles of 2.83 (7) and 85.49 (3)°, respectively, with the mean plane of the isoxazoline ring. In the crystal, molecules are linked by weak C—H...O hydrogen interactions into chains running parallel to the b axis.

crystal structureCrystallographyOxideGeneral ChemistryCrystal structureisoxazolinesDihedral angleCondensed Matter PhysicsRing (chemistry)Medicinal chemistrysingle crystalsCrystalchemistry.chemical_compoundliquid crystalschemistryLiquid crystalQD901-999General Materials ScienceIsoxazoleBenzene[3 + 2] cycloadditionActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of 4-(4-meth-oxy-phen-yl)-4',4'-dimethyl-3-p-tolyl-3',4'-di-hydro-1'H,3H-spiro-[isoxazole-5,2'-naphthalen]-1'-one.

2015

In the title compound, C28H27NO3, the cyclohexanone and isoxazole rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the isoxazole ring is inclined slightly to thep-tolyl ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.

crystal structureisoxazoleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Data Reportstetra­loneCrystallcsh:ChemistryCrystallographychemistry.chemical_compoundsymbols.namesaketetralonechemistrylcsh:QD1-999TetralonesymbolsMoietyGeneral Materials ScienceIsoxazolevan der Waals forceActa crystallographica. Section E, Crystallographic communications
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Crystal structure of 5-{3-[2,6-dimethyl- 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}- N-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate

2015

The crystal structure and supra­molecular features of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxa­diazol-3-yl)phen­oxy]prop­yl}-N-(11-hy­droxy­undec­yl)isoxazole-3-carboxamide hemihydrate, a derivative of anti­viral ‘WIN compounds’, are reported.

crystal structuremedicine.drug_classOxadiazoleCarboxamideNanotechnologyCrystal structureDihedral angleRing (chemistry)Medicinal chemistryResearch Communicationschemistry.chemical_compoundmedicinePeptide bondGeneral Materials ScienceIsoxazoleta116oxa­diazoleCrystallographyChemistryHydrogen bondWIN derivativeisoxazoleGeneral ChemistryCondensed Matter PhysicsantiviralQD901-999anti­viraloxadiazoleActa Crystallographica Section E : Crystallographic Communications
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Crystal structure of (2R*,3aR*)-2-phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole

2017

The title compound, C12H15NO3S, was prepared by 1,3-dipolar cycloaddition of 3,4-dihydro-2H-pyrrole 1-oxide and phenyl vinyl sulfone. In the molecule, both fused five-membered rings display a twisted conformation. In the crystal, C—H...O hydrogen bonds link neighbouring molecules, forming chains running parallel to thebaxis.

crystal structurenitronesStereochemistryCrystal structure010402 general chemistry01 natural sciencesCrystalchemistry.chemical_compoundisoxazolidinesGeneral Materials ScienceIsoxazolesulfonesSulfonylchemistry.chemical_classificationCrystallography010405 organic chemistryChemistryHydrogen bondGeneral ChemistryPhenyl vinyl sulfoneCondensed Matter PhysicsHEXA0104 chemical sciencesCrystallographyQD901-999hydrogen bondsActa Crystallographica Section E: Crystallographic Communications
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Lung involvement and drug-induced lung disease in patients with rheumatoid arthritis

2013

Interstitial lung disease (ILD) is a common extra-articular manifestation of rheumatoid arthritis (RA) and a significant cause of morbidity and mortality. Usual interstitial pneumonia and nonspecific interstitial pneumonia seem to be the most frequent patterns in RA patients with ILD, although the proportion of patients with usual interstitial pneumonia is higher than among patients with other systemic rheumatic autoimmune diseases. RA patients with ILD most frequently present with chronic symptoms of cough and dyspnea when climbing stairs or walking uphill. A physical examination may reveal inhalatory crackles and a pulmonary function test demonstrates restrictive physiology, often with re…

medicine.medical_specialtyImmunologyArthritisLung biopsyGastroenterologyPulmonary function testingArthritis RheumatoidAntibodies Monoclonal Murine-DerivedPatient Education as TopicUsual interstitial pneumoniaInternal medicinemedicineHumansImmunology and AllergyAntibodies BlockingPneumonitisLeflunomideClinical Trials as TopicTumor Necrosis Factor-alphabusiness.industryInterstitial lung diseaseIsoxazolesmedicine.diseaserespiratory tract diseasesMethotrexateAntirheumatic AgentsRheumatoid arthritisImmunologyLung Diseases InterstitialRituximabbusinessLeflunomidemedicine.drugExpert Review of Clinical Immunology
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Targeting HSP90 with the small molecule inhibitor AUY922 (luminespib) as a treatment strategy against hepatocellular carcinoma

2018

Hepatocellular carcinoma (HCC) is a highly malignant tumor that responds very poorly to existing therapies, most probably due to its extraordinary inter- and intra-tumor molecular heterogeneity. The modest therapeutic response to molecular targeted agents underlines the need for new therapeutic approaches for HCC. In our study, we took advantage of well-characterized human HCC cell lines, differing in transcriptomic subtypes, DNA mutation and amplification alterations, reflecting the heterogeneity of primary HCCs, to provide a preclinical evaluation of the specific heat shock protein 90 (HSP90) inhibitor AUY922 (luminespib). Indeed, HSP90 is highly expressed in different tumor types, but it…

p53MaleCancer ResearchCellTranscriptome0302 clinical medicineHCCbeta CateninAged 80 and overLuminespibAUY922Liver NeoplasmsHep G2 CellsSorafenibMiddle AgedUp-RegulationGene Expression Regulation Neoplasticmedicine.anatomical_structureOncologyCaspases030220 oncology & carcinogenesisHepatocellular carcinomaFemaleNUPR1medicine.drugAdultSorafenibCarcinoma Hepatocellularβ-CateninMice NudeAntineoplastic AgentsSmall Molecule Libraries03 medical and health sciencesDownregulation and upregulationIn vivoCell Line TumormedicineHSP90AnimalsHumansHSP90 Heat-Shock ProteinsAgedCell growthbusiness.industryMcl-1IsoxazolesResorcinolsHCCSmedicine.diseasedigestive system diseasesMutationCancer researchTranscriptomebusinessInternational Journal of Cancer
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Determination of glyphosate and its metabolite aminomethylphosphonic acid in fruit juices using supported-liquid membrane preconcentration method wit…

2005

Abstract The application of supported-liquid membrane (SLM) technique for effective extraction of N -(phosphonomethyl)glycine (glyphosate) and its primary metabolite aminomethylphosphonic acid (AMPA) from juices (orange, grapefruit, apple and blackcurrant) in combination with HPLC-UV detection after derivatization with p -toluenesulphonyl chloride (TsCl) is presented. The influence of various parameters such as the composition of acceptor phase, flow-rate, concentration of analytes, on the performance of extraction procedure, was studied. It was shown that by appropriate manipulation of SLM parameters the level of detection could be significantly improved. The influence of SLM conditions on…

supported-liquid membrane extractionMetaboliteGlycineOrganophosphonatesTetrazolesaminomethylphosphonic acidfruit juiceBiochemistryHigh-performance liquid chromatographyChlorideAnalytical ChemistryBeveragesTosyl Compoundschemistry.chemical_compoundglyphosatemedicineSample preparationAminomethylphosphonic acidDerivatizationChromatography High Pressure LiquidChromatographyOrganic ChemistryPrimary metaboliteMembranes ArtificialIsoxazolespesticidesGeneral MedicinechemistryFruitGlyphosateCalibrationSpectrophotometry UltravioletHPLCmedicine.drugJournal of Chromatography A
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Organocatalytic Enantioselective Vinylogous Henry Reaction of 3,5-Dimethyl-4-nitroisoxazole with Trifluoromethyl Ketones

2017

The enantioselective vinylogous Henry reaction of 3,5-dimethyl-4-nitroisoxazole with trifluoromethyl ketones employing a bifunctional squaramide organocatalyst has been developed. A series of isoxazole bearing trifluoromethyl-substituted tertiary alcohols, 2-substituted (R)-1,1,1-trifluoro-3-(3-methyl-4-nitroisoxazol-5-yl)propan-2-ols, were obtained under these mild reaction conditions in good yields and moderate to good enantioselectivities

trifluoromethyl ketoneReaction conditionsNitroaldol reactionTrifluoromethyl010405 organic chemistryasymmetric synthesisisoxazoleOrganic ChemistryEnantioselective synthesisSquaramide010402 general chemistry01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundchemistrysquaramide organocatalystvinylogous Henry reactionOrganic chemistryIsoxazoleBifunctionalTertiary alcoholsSynthesis
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