Search results for "Benzoxaborole"

showing 8 items of 8 documents

Synthesis and Influence of 3-Amino Benzoxaboroles Structure on Their Activity against Candida albicans

2020

Benzoxaboroles emerged recently as molecules of high medicinal potential with Kerydin&reg

Antifungal AgentsStereochemistrySubstituentPharmaceutical Sciencechemistry.chemical_elementMicrobial Sensitivity Tests01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441030207 dermatology & venereal diseases03 medical and health sciencesMinimum inhibitory concentrationchemistry.chemical_compound0302 clinical medicinebenzoxaboroleslcsh:Organic chemistryDrug DiscoveryCandida albicansformylPhysical and Theoretical ChemistryCandida albicanschemistry.chemical_classificationTavaboroleKerydinMolecular Structurebiology010405 organic chemistryChemistryOrganic Chemistrybiology.organism_classificationpiperazine0104 chemical sciences<i>Candida albicans</i>PiperazineChemistry (miscellaneous)Heterocyclic amineFluorineMolecular MedicineAmine gas treatingantifungalMolecules
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Investigation of fungicidal activity of 3-piperazine-bis(benzoxaborole) and its boronic acid analogue

2014

3-Piperazine-bis(benzoxaborole) and its bis(phenylboronic acid) analogue were investigated in terms of their fungicidal activity. The study was carried out against five filamentous fungi: Aspergillus terreus, Fusarium dimerum, Fusarium solani, Penicillium ochrochloron and Aspergillus niger. 3-Piperazine-bis(benzoxaborole) revealed higher inhibitory activity towards the examined strains than standard antibiotic (amphotericin B), whereas bis(phenylboronic acid) proved to be inactive. The study unequivocally showed that the presence of the heterocyclic benzoxaborole system is essential for antifungal action of the examined compounds.

fungicidal activitybenzoxaborolesboronic acidsfungicidesApplied Organometallic Chemistry
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Synthesis, structure, properties and antimicrobial activity of para trifluoromethyl phenylboronic derivatives

2021

The [2-formyl-4-(trifluoromethyl)phenyl]boronic acid as well as its benzoxaborole and bis(benzoxaborole) derivatives were obtained and their properties studied. The 2-formyl compound displays an unusual structure in the crystalline state, with a significant twist of the boronic group, whereas in DMSO solution it tautomerizes with formation of a cyclic isomer. All the studied compounds exhibit relatively high acidity as well as a reasonable antimicrobial activity. Docking studies showed interactions of all the investigated compounds with the binding pocket of Candida albicans LeuRS. High activity against Bacillus cereus was determined for the 2-formyl compound as well as for the novel bis(be…

BenzoxaboroleBis(benzoxaborole)Antifungal AgentsDose-Response Relationship DrugMolecular StructurePhenyl boronicOrganic ChemistryMicrobial Sensitivity TestsAntifungalBiochemistryTrifluoromethylAnti-Bacterial AgentsDockingAntibacterialStructure-Activity RelationshipBacillus cereusDrug DiscoveryCandida albicansEscherichia coliLeuRSAspergillus nigerMolecular BiologyBioorganic Chemistry
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The influence of fluorine position on the properties of fluorobenzoxaboroles

2015

5-Fluoro-2,1-benzoxaborol-1(3H)-ol, a potent antifungal drug also known as Tavaborole or AN2690, has been compared with its three isomers in terms of its activity against several fungi as well as pKa and multinuclear NMR characterization. The molecular and crystal structure of 6-fluoro-2,1-benzoxaborol-1(3H)-ol was determined and compared with that of AN2690.

Boron CompoundsModels Molecularcrystal structureAntifungal AgentsMagnetic Resonance SpectroscopyHalogenationStereochemistryAntifungal drugchemistry.chemical_elementCrystal structureCrystallography X-RayBiochemistrybenzoxaborolesIsomerismDrug DiscoveryHumansMolecular BiologytavaboroleTavaboroleChemistryOrganic Chemistryantifungal activityFungiFluorineBridged Bicyclo Compounds HeterocyclicMycosesFluorineBioorganic Chemistry
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Novel 2,6-disubstituted phenylboronic compounds - Synthesis, crystal structures, solution behaviour and reactivity

2015

Abstract 2,6-Diformylphenylboronic acid has been synthesized and characterized both in the solid state as well as in solution. In crystal, an unusual structural pattern has been found with the formation of intermolecular hydrogen bonds by B(OH) 2 and CHO groups as well as water molecules. In solution tautomeric equilibrium with the formation of oxaborole ring by one of the formyl groups was proved on the basis of multinuclear NMR spectroscopy. The title compound reacts with secondary mono- and diamines to form various types of substituted benzoxaboroles, which have been characterized by XRD and spectroscopic methods.

crystal structureboronic acidsChemistryHydrogen bondOrganic ChemistryCrystal structureNuclear magnetic resonance spectroscopyRing (chemistry)BiochemistryTautomerreductive aminationtautomeric equilibriaInorganic ChemistryCrystalbenzoxaborolesPolymer chemistryMaterials ChemistryMoleculeReactivity (chemistry)Physical and Theoretical ChemistryJournal of Organometallic Chemistry
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Synthesis, Properties and Antimicrobial Activity of 5-Trifluoromethyl-2-formylphenylboronic Acid

2020

2-Formylphenylboronic acids display many interesting features, not only from synthetic but also from an application as well as structural points of view. 5-Trifluoromethyl-2-formyl phenylboronic acid has been synthesized and characterized in terms of its structure and properties. The presence of an electron-withdrawing substituent results in a considerable rise in the acidity in comparison with its analogues. In some solutions, the title compound isomerizes with formation of the corresponding 3-hydroxybenzoxaborole. Taking into account the probable mechanism of antifungal action of benzoxaboroles, which blocks the cytoplasmic leucyl-tRNA synthetase (LeuRS) of the microorganism, docking stud…

Antifungal AgentstrifluoromethylStereochemistryphenylboronicBacillus cereusAntifungal drugbenzoxaborolePharmaceutical ScienceMicrobial Sensitivity Tests010402 general chemistry01 natural sciencesequilibriumArticleAnalytical Chemistrycrystallcsh:QD241-441chemistry.chemical_compoundTavaborolelcsh:Organic chemistryCandida albicansDrug DiscoveryEscherichia colimedicineformylPhysical and Theoretical ChemistryPhenylboronic acidCandida albicansacidityTrifluoromethylKerydinbiology010405 organic chemistryChemistryOrganic ChemistryActive sitebiology.organism_classificationBoronic AcidsAnti-Bacterial Agents0104 chemical sciencesMechanism of actionChemistry (miscellaneous)Docking (molecular)Benzaldehydesdockingbiology.proteinMolecular MedicineantimicrobialLeucine-tRNA Ligasemedicine.symptomMolecules
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Synthesis and structural elucidation of novel antifungal N-(fluorophenyl)piperazinyl benzoxaboroles and their analogues

2019

Abstract Series of novel N-(fluorophenyl)piperazine derivatives of phenylboronic compounds including benzoxaboroles, phenylboronic acids and phenylboronic methyl monoester have been obtained by facile synthetic methods starting from 2-formylphenylboronic acid. Molecular and crystal structures of those novel derivatives have been investigated by single crystal X-ray diffraction method. The Bond Valence Vector Model was used to describe strains in the boron coordination sphere. Microbiological activity of novel benzoxaboroles as well as their corresponding acid analogues against: A. niger, A. terreus, P. ochrochloron, C. tenuis and F. dimerum has been evaluated. The presence of heterocyclic b…

AntifungalorganoboronValence (chemistry)Coordination sphere010405 organic chemistryChemistrymedicine.drug_classphenylboronic acidantifungal activityOrganic ChemistrybenzoxaboroleCrystal structurepiperazine010402 general chemistry01 natural sciencesCombinatorial chemistryfluorophenyl0104 chemical sciencesAnalytical ChemistryInorganic Chemistrychemistry.chemical_compoundPiperazinemedicinePhenylboronic acidSpectroscopyJournal of Molecular Structure
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CCDC 1998837: Experimental Crystal Structure Determination

2020

Related Article: Dorota Wieczorek, Ewa Kaczorowska, Marta Wiśniewska, Izabela D. Madura, Magdalena Leśniak, Jacek Lipok, Agnieszka Adamczyk-Woźniak|2020|Molecules|25|5999|doi:10.3390/molecules25245999

Space GroupCrystallographyCrystal System1-hydroxy-3-(4-phenylpiperazin-1-yl)-13-dihydro-21-benzoxaborole-7-carbaldehydeCrystal StructureCell ParametersExperimental 3D Coordinates
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