Search results for "sulfonamide"

showing 10 items of 258 documents

Functional superoxide dismutase mimics. Structural characterization and magnetic exchange interactions of copper(II)-N-substituted sulfonamide dimer …

2004

Dinuclear copper(II) complexes with N-substituted sulfonamide ligands as superoxide dismutase (SOD) mimics have been investigated. The new N-(thiazol-2-yl)toluenesulfonamide (Htz-tol) and N-(thiazol-2-yl)naphthalenesulfonamide (Htz-naf) ligands have been prepared and structurally characterized. The complexes derived from these ligands, [Cu(2)(tz-tol)(4)] (1) and [Cu(2)(tz-naf)(4)] (2), have been synthesized, and their crystal structure, magnetic properties, and EPR spectra were studied in detail. In both compounds the metal centers are bridged by four nonlinear triatomic NCN groups. The coordination geometry of the coppers in the dinuclear entity of 1 and 2 is distorted square planar with t…

Models MolecularStereochemistryDimerMolecular Conformationchemistry.chemical_elementCrystal structureCrystallography X-RayLigandslaw.inventionInorganic Chemistrychemistry.chemical_compoundMagneticslawOrganometallic CompoundsMoleculePhysical and Theoretical ChemistryElectron paramagnetic resonanceCoordination geometrychemistry.chemical_classificationMolecular StructureChemistrySuperoxide DismutaseMolecular MimicryElectron Spin Resonance SpectroscopyCopperMagnetic susceptibilitySulfonamideCrystallographyAlgorithmsCopperInorganic chemistry
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Pyrazolo[3,4-d]pyrimidine derivatives as COX-2 selective inhibitors: synthesis and molecular modelling studies.

2009

The pyrazolo[3,4-d]pyrimidine system shows a multitude of interesting pharmacological properties. Owing to the potential anti-inflammatory activity of 5-benzamido-pyrazolo[3,4-d]pyrimidin- 4-one derivatives and considering the easy synthesis of this class of compounds, a set of new 5- benzamido-1H-pyrazolo[3,4-d]pyrimidin-4-ones has been prepared in 42-80% yields by reacting 5- aminopyrazole-4(N-benzoyl)carbohydrazide derivatives and the opportune triethylorthoesters. Compounds 8a, b, 10a–d, and 11a, b revealed a superior inhibitory profile against COX-2, when compared to that of reference standards NS398 and indomethacin. Molecular modelling studies confirmed the obtained biological result…

Models MolecularSulfonamidesSheepCyclooxygenase 2 InhibitorsIndomethacinAnti-Inflammatory AgentsSettore CHIM/08 - Chimica FarmaceuticaStructure-Activity Relationship4(3H)-QuinazolinonePyrimidinesDocking Pyrazolo[34-d]pyrimidineCyclooxygenase 1AnimalsHumansPyrazolesComputer SimulationCOX-2 inhibitorNitrobenzenesArchiv der Pharmazie
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Bis(diethylenetriamine-κ3N)nickel(II) 5-amino-1,3,4-thiadiazole-2-sulfonamidate chloride monohydrate

2000

In the X-ray crystal structure of the title complex, [Ni(C(4)H(13)N(3))(2)](C(2)H(3)N(4)O(2)S(2))Cl.H(2)O, the coordination polyhedron is composed of non-centrosymmetric [Ni(diethylenetriamine)(2)](2+) cations in which the triamine ligands coordinate to the metal centre as tridentate ligands in a facial position. The Ni(II) ions are linked to six N atoms in an octahedral arrangement, slightly compressed in one extreme. The sulfonamide behaves as a counter-ion instead of as a ligand. Important information about the deprotonated sulfonamide group conformation has been obtained.

Models Molecularchemistry.chemical_classificationSulfonamidesStereochemistryLigandchemistry.chemical_elementHydrogen BondingGeneral MedicineCrystal structureCrystallography X-RayMedicinal chemistryGeneral Biochemistry Genetics and Molecular BiologySulfonamidechemistry.chemical_compoundNickelchemistryOctahedronDiethylenetriamineOrganometallic CompoundsAmine gas treatingDiazoCarbonic Anhydrase InhibitorsActa Crystallographica Section C Crystal Structure Communications
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CCDC 684536: Experimental Crystal Structure Determination

2008

Related Article: A.Valkonen, R.Gawinecki, H.Janota, B.Osmialowski, E.Kolehmainen|2008|Acta Crystallogr.,Sect.E:Struct.Rep.Online|64|o737|doi:10.1107/S1600536808007435

N-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1857204: Experimental Crystal Structure Determination

2019

Related Article: A. Sunil Kumar, Jyothi Kudva, Manu Lahtinern, Anssi Peuronen, Rajitha Sadashiva, Damodara Naral|2019|J.Mol.Struct.|1190|29|doi:10.1016/j.molstruc.2019.04.050

N-(4-methylphenyl)-4-[(quinazolin-4-yl)amino]benzene-1-sulfonamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1891128: Experimental Crystal Structure Determination

2020

Related Article: Marcos Escolano, Marta Guerola, Javier Torres, Daniel Gaviña, Gloria Alzuet-Piña, María Sánchez-Rosello, Carlos del Pozo|2020|Chem.Commun.|56|1425|doi:10.1039/C9CC09113K

N-{[1-(ethenylsulfonyl)-3-methyl-6-(2-oxopropyl)piperidin-3-yl]methyl}ethenesulfonamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2034819: Experimental Crystal Structure Determination

2021

Related Article: Peng Shi, Yongliang Tu, Duo Zhang, Chenyang Wang, Khai‐Nghi Truong, Kari Rissanen, Carsten Bolm|2021|Adv.Synth.Catal.|363|2552|doi:10.1002/adsc.202100162

N-{[2-(4-t-butylphenyl)-2-chloroethenyl](oxo)phenyl-lambda6-sulfanyl}-4-methylbenzene-1-sulfonamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 809191: Experimental Crystal Structure Determination

2012

Related Article: J.T.Koivunen, L.Nissinen, J.Kapyla, J.Jokinen, M.Pihlavisto, A.Marjamaki, J.Heino, J.Huuskonen, O.T.Pentikainen|2011|J.Am.Chem.Soc.|133|14558|doi:10.1021/ja206086c

N^1^N^3^-bis(9-Oxo-9H-fluoren-2-yl)benzene-13-disulfonamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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A multicenter DeCOG study on predictors of vemurafenib therapy outcome in melanoma: pretreatment impacts survival

2015

Background: Kinase inhibitors targeting the BRAF V600 mutation have become standard in the treatment of metastatic melanoma. Albeit in wide clinical use, the patterns associated with therapy outcome are not fully elucidated. The present study was aimed to identify predictive factors of therapy response and survival under the BRAF inhibitor vemurafenib. Patients and methods: This multicenter retrospective study analyzed patient, tumor, and pretreatment characteristics collected in BRAF V600-mutated stage IV melanoma patients before single-agent therapy with the BRAF inhibitor vemurafenib. Results: A total of 300 patients from 14 centers were included into this study with a median follow-up t…

OncologyAdultMalemedicine.medical_specialtyIndolesSkin Neoplasmsmedicine.medical_treatmentMedizin-Disease-Free Survival03 medical and health sciences0302 clinical medicineMedizinische FakultätInternal medicinemedicineHumansddc:610VemurafenibMelanoma030304 developmental biologyRetrospective Studies0303 health sciencesChemotherapySulfonamidesbusiness.industryMelanomaHazard ratioRetrospective cohort studyHematologyImmunotherapyMiddle Agedmedicine.diseaseChemotherapy regimen3. Good healthTreatment OutcomeOncologyVemurafenib030220 oncology & carcinogenesisCancer researchFemalebusinessV600Emedicine.drug
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Azulene as a biphenyl mimetic in orexin/hypocretin receptor agonists

2023

Azulene is a rare ring structure in drugs, and we investigated whether it could be used as a biphenyl mimetic in known orexin receptor agonist Nag 26, which is binding to both orexin receptors OX1 and OX2 with preference towards OX2. The most potent azulene-based compound was identified as an OX1 orexin receptor agonist (pEC50 = 5.79 +/- 0.07, maximum response = 81 +/- 8% (s.e.m. of five independent experiments) of the maximum response to orexin-A in Ca2+ elevation assay). However, the azulene ring and the biphenyl scaffold are not identical in their spatial shape and electron distribution, and their derivatives may adopt different binding modes in the binding site. Peer reviewed

Orexin receptorSulfonamidesazuleneOrganic ChemistryClinical BiochemistryAgonistPharmaceutical ScienceMedicinal chemistryBiochemistrylääkekemia317 Pharmacymedicinal chemistrysulfonamidesDrug DiscoveryatsuleeniMolecular Medicine1182 Biochemistry cell and molecular biologyAzulene3111 BiomedicineagonistMolecular Biologyorexin receptor
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