Search results for "Oxazole"

showing 10 items of 227 documents

Thiazole–amino acids: influence of thiazole ring on conformational properties of amino acid residues

2021

Abstract Post-translational modified thiazole–amino acid (Xaa–Tzl) residues have been found in macrocyclic peptides (e.g., thiopeptides and cyanobactins), which mostly inhibit protein synthesis in Gram + bacteria. Conformational study of the series of model compounds containing this structural motif with alanine, dehydroalanine, dehydrobutyrine and dehydrophenylalanine were performed using DFT method in various environments. The solid-state crystal structure conformations of thiazole–amino acid residues retrieved from the Cambridge Structural Database were also analysed. The studied structural units tend to adopt the unique semi-extended β2 conformation; which is stabilised mainly by N–H⋯N…

0301 basic medicineStereochemistryClinical BiochemistryNon-standard amino acidsMolecular ConformationRamachandran map010402 general chemistryRing (chemistry)01 natural sciencesBiochemistryDFT03 medical and health scienceschemistry.chemical_compoundDehydroalanineAmino AcidsStructural motifThiazoleOxazoleAlaninechemistry.chemical_classificationHydrogen bondNon-standard amino AIDSHydrogen bondOrganic ChemistryHydrogen Bonding0104 chemical sciencesAmino acidThiazoles030104 developmental biologyConformational analysischemistryOriginal ArticleThiazolePeptidesAmino Acids
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Synthesis of Isoxazole and 1,2,3-Triazole Isoindole Derivatives via Silver- and Copper-Catalyzed 1,3-Dipolar Cycloaddition Reaction.

2016

International audience; The CuI-or Ag 2 CO 3-catalyzed [3+2] cycloaddition of propargyl-substituted dihydroisoindolin-1-one (3) with arylnitrile oxides 1a-d (Ar = Ph, p-MeC 6 H 4 , p-MeOC 6 H 4 , p-ClC 6 H 4) produces in good yields novel 3,5-disubstituted isoxazoles 4 of the ethyl-2-benzyl-3-oxo-1-((3-arylisoxazol-5yl)methyl)-2,3-dihydro-1H-isoindole-1-carboxylate type. With aryl azides 2a-d (Ar = Ph, p-MeC 6 H 4 , p-OMeC 6 H 4 , p-ClC 6 H 4), a series of 1,4-disubstituted 1,2,3-triazoles 6 (ethyl-2-benzyl-3-oxo-1-((1-aryl-1H-1,2,3-triazol-4-yl)methyl)-2,3-dihydro-1H-isoindole-1-carboxylates) was obtained. The reactions proceed in a regioselective manner affording exclusively racemic adduc…

123-TriazoleMagnetic Resonance SpectroscopySilverSpectrophotometry Infrared12Pharmaceutical Science[3+2] dipolar cycloaddition; arylnitrile oxides; arylazides; isoxazole; 123-triazolesarylazidesIsoindoles010402 general chemistryCrystallography X-Ray01 natural sciencesMedicinal chemistryCatalysisArticleAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryOrganic chemistryPhysical and Theoretical ChemistryIsoxazoleCycloaddition Reaction010405 organic chemistryArylOrganic ChemistryisoxazoleRegioselectivityIsoxazolesarylnitrile oxidesTriazolesCycloaddition0104 chemical scienceschemistryChemistry (miscellaneous)13-Dipolar cycloaddition[3+2] dipolar cycloadditionMolecular Medicine123-triazoles3-triazolesIsoindoleSelectivity[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]CopperMolecules (Basel, Switzerland)
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SYNTHESIS AND ANTITUMOR ACTIVITY OF 2,5-BIS(3'-INDOLYL)-FURANS AND 3,5-BIS(3'-INDOLIY)-ISOXAZOLES, NORTOPSENTIN ANALOGUES

2010

Abstract A series of novel 2,5-bis(3′-indolyl)furans and 3,5-bis(3′-indolyl)isoxazoles were synthesized as antitumor agents. The antiproliferative activity was evaluated in vitro toward diverse human tumor cell lines. Initially 5 isoxazoles and 3 furan derivatives were tested against a panel of 10 human tumor cell lines and the most active derivatives 3c and 4a were selected to be evaluated in an extended panel of 29 cell lines. By exhibiting mean IC50 values of 17.4 μg/mL (3a) and 20.5 μg/mL (4c), in particular 4c showed a high level of tumor selectivity toward the 29 cell lines.

35-BIS(3'-INDOLIY)-ISOXAZOLESIndolesStereochemistry3Clinical Biochemistry2Pharmaceutical ScienceAntineoplastic AgentsBiochemistryChemical synthesis25-BIS(3'-INDOLYL)-FURANSchemistry.chemical_compound2; 5-BIS(3'-INDOLYL)-FURANS; 3; 5-BIS(3'-INDOLIY)-ISOXAZOLES; NORTOPSENTIN; ANTITUMOR ACTIVITYFuranCell Line TumorNeoplasmsDrug DiscoveryHumans5-BIS(3'-INDOLIY)-ISOXAZOLESCytotoxicityFurans5-BIS(3'-INDOLYL)-FURANSMolecular BiologyAntitumor activityAlkaloidOrganic ChemistryBiological activityNORTOPSENTINIsoxazolesSettore CHIM/08 - Chimica FarmaceuticaIn vitroANTITUMOR ACTIVITYchemistryCell cultureMolecular MedicineDrug Screening Assays Antitumor
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CCDC 160805: Experimental Crystal Structure Determination

2001

Related Article: E.Aiello, S.Aiello, F.Mingoia, A.Bacchi, G.Pelizzi, C.Musiu, M.G.Setzu, A.Pani, P.La Colla, M.E.Marongiu|2000|Bioorg.Med.Chem.|8|2719|doi:10.1016/S0968-0896(00)00211-X

3-(5-Methyl-4-nitroso-1-propyl-1H-3-pyrazolyl)-5-methylisoxazoleSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2051973: Experimental Crystal Structure Determination

2021

Related Article: Jan Sietmann, Mike Ong, Christian Mück-Lichtenfeld, Constantin G. Daniliuc, Johannes M. Wiest|2021|Angew.Chem.,Int.Ed.|60|9719|doi:10.1002/anie.202100642

3-phenyl-3'3'a8'8'a-tetrahydrospiro[cyclobutane-12'-indeno[12-d][13]oxazole]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 906031: Experimental Crystal Structure Determination

2013

Related Article: Pekka K.Poutiainen ,Jorma J.Palvimo,Ari E.Hinkkanen,Arto Valkonen,Topi K.Vaisanen,Reino Laatikainen,Juha T.Pulkkinen|2013|J.Med.Chem.|56|1064|doi:10.1021/jm301516q

5-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-45-dihydro-12-oxazoleSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 906030: Experimental Crystal Structure Determination

2013

Related Article: Pekka K.Poutiainen ,Jorma J.Palvimo,Ari E.Hinkkanen,Arto Valkonen,Topi K.Vaisanen,Reino Laatikainen,Juha T.Pulkkinen|2013|J.Med.Chem.|56|1064|doi:10.1021/jm301516q

5-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-45-dihydro-12-oxazoleSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Mossbauer spectroscopic study of the thermal spin crossover in [Fe(II)(isoxazole)(6)](ClO(4))(2)

2008

The (57)Fe Mossbauer spectroscopy of mononuclear [Fe(II)(isoxazole)(6)](ClO(4))(2) has been studied to reveal the thermal spin crossover of Fe(II) between low-spin (S = 0) and high-spin (S = 2) states.Temperature-dependent spin transition curves have been constructed with the least-square fitted data obtained from the Mossbauer spectra measured at various temperatures between 84 and 270 K during a cooling and heating cycle. This compound exhibits an unusual temperature-dependent spin transition behaviour with T(C)(down arrow) = 223 and T(C)(up arrow) = 213 K occurring in the reverse order in comparison to those observed in SQUID observation and many other spin transition compounds. The comp…

5-BIS(PYRIDIN-2-YL)-1Phase transitionMossbauer spectroscopySpin transition2Inorganic compoundsABPT=4-AMINO-3chemistry.chemical_compoundMOLECULESNuclear magnetic resonanceSpin crossoverMössbauer spectroscopyMagnetic propertiesPERCHLORATEGeneral Materials Science4-TRIAZOLEIsoxazoleSpin (physics)Mössbauer effectORDER-DISORDER PHENOMENABIS(3-AMINOPROPYL)(2-PYRIDYLMETHYL)AMINECOMPOUNDGeneral ChemistryAtmospheric temperature rangeCondensed Matter PhysicsSTATECrystallographychemistryPhase transitionsPHASE-TRANSITIONCondensed Matter::Strongly Correlated ElectronsCOMPLEXESLIGANDSABPT=4-AMINO-35-BIS(PYRIDIN-2-YL)-124-TRIAZOLEJournal of Physics and Chemistry of Solids
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CCDC 1561793: Experimental Crystal Structure Determination

2017

Related Article: Tile Gieshoff, Anton Kehl, Dieter Schollmeyer, Kevin D. Moeller, Siegfried R. Waldvogel|2017|J.Am.Chem.Soc.|139|12317|doi:10.1021/jacs.7b07488

6-chloro-2-(N-(4-chlorophenyl)-11-dimethyl)propanamide-13-benzoxazoleSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Perspectives for the Treatment of Brucellosis in the 21st Century: The Ioannina Recommendations

2007

Policy Forum. Competing interests: ER has received research grants from Daiichi, Bayer, and Theravance and has served as a consultant to Pfizer, Theravance, Bayer, Wyeth, Rosetta, and BiondVax. Summary Points Brucellosis remains the commonest anthropozoonosis worldwide, and its treatment remains complex, requiring protracted administration of more than one antibiotic. In November 2006, a consensus meeting aimed at reaching a common specialist statement on the treatment of brucellosis was held in Ioannina, Greece under the auspices of the International Society of Chemotherapy and the Institute of Continuing Medical Education of Ioannina. The author panel suggests that the optimal treatment o…

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