Search results for "4-O"

showing 10 items of 457 documents

CCDC 1821099: Experimental Crystal Structure Determination

2018

Related Article: Carlos Vila, Jaume Rostoll-Berenguer, Rubén Sánchez-García, Gonzalo Blay, Isabel Fernández, M. Carmen Muñoz, and José R. Pedro|2018|J.Org.Chem.|83|6397|doi:10.1021/acs.joc.8b00612

5-[1-(4-bromophenyl)-2-nitroethyl]-1H-indol-4-olSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1484545: Experimental Crystal Structure Determination

2016

Related Article: Ugur Kaya, Suruchi Mahajan, Jan-Hendrik Schöbel, Arto Valkonen, Kari Rissanen and Dieter Enders|2016|Synthesis|48|4091|doi:10.1055/s-0035-1562473

6-(3-chlorophenyl)-1-methyl-4-oxo-3-phenyl-7-thia-23-diazaspiro[4.4]non-1-en-9-yl acetateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

Theoretical study of photoinduced ring-isomerization in the 1,2,4-oxadiazole series

2004

Abstract A theoretical study of photoinduced ring-isomerization of 3-amino-5-methyl- and 3-amino-5-phenyl-1,2,4-oxadiazoles is reported. The results well agree with the reported experimental data: in particular, they explain the ring-photoisomerization into the corresponding 2-amino-1,3,4-oxadiazoles through a ring contraction-ring expansion route; moreover, the occurrence of competing pathways involving both the ring contraction and the internal cyclization–isomerization mechanism during irradiation of the 5-alkyl substituted substrates in the presence of a base has been also substantiated.

Ab initio calculationPhotoisomerizationPhotochemistryChemistryHeterocycleOrganic ChemistryOxadiazoleSettore CHIM/06 - Chimica OrganicaPhotochemistryBiochemistrychemistry.chemical_compoundComputational chemistryAb initio quantum chemistry methodsPhotoisomerizationDrug Discovery124-OxadiazoleIsomerizationTetrahedron
researchProduct

Synthesis and anti-HIV activity of 2,3-diaryl-1,3-thiazolidin-4-ones

2002

Several 1,3-thiazolidin-4-ones bearing a 2,6-dihalophenyl group at C-2 and a variously substituted phenyl ring at N-3 have been synthesized and tested as anti-HIV agents. The results of the in vitro tests showed that some of them proved to be effective inhibitors of HIV-1 replication.

Anti hiv activityAnti-HIV activityAnti-HIV Agents23-Diaryl-13-thiazolidin-4-oneChemistryStereochemistryHuman immunodeficiency virus (HIV)Pharmaceutical ScienceGeneral MedicineVirus ReplicationRing (chemistry)medicine.disease_causeChemical synthesisIn vitroCell LineThiazoleschemistry.chemical_compoundHIV-2Drug DiscoveryHIV-1NNRTIsLactammedicineHumansIl Farmaco
researchProduct

Several 1,3-thiazolidin-4-ones bearing a 2,6-dihalophenyl group at C-2 and a variously substituted phenyl ring at N-3 have been synthesized and teste…

2003

Several 1,3-thiazolidin-4-ones bearing a 2,6-dihalophenyl group at C-2 and a variously substituted phenyl ring at N-3 have been synthesized and tested as anti-HIV agents. The results of the in vitro tests showed that some of them proved to be effective inhibitors of HIV-1 replication.

Anti-HIV activity23-Diaryl-13-thiazolidin-4-oneNNRTIs
researchProduct

Synthesis of new 2,3-diaryl-1,3-thiazolidin-4-ones as anti-HIV agents

2004

Several 2,3-diaryl-1,3-thiazolidin-4-ones were synthesized and evaluated as anti-HIV agents. The results of the in vitro tests showed that some of them were highly effective inhibitors of HIV-1 replication at 30-50 nM concentrations with minimal cytotoxicity, thereby acting as non-nucleoside HIV-1 reverse transcriptase inhibitors (NNRTIs).

Anti-HIV activity23-diaryl-13-thiazolidin-4-oneAnti-HIV AgentsCell SurvivalT-LymphocytesDrug Evaluation PreclinicalPharmaceutical SciencePharmacologyVirus ReplicationStructure-Activity RelationshipDrug DiscoveryStructure–activity relationshipHumansCytotoxicityCell survivalAnti hiv activityMolecular StructureAnti hivChemistryvirus diseasesSettore CHIM/08 - Chimica FarmaceuticaReverse transcriptaseIn vitroThiazolesViral replicationHIV-2HIV-1NNRTIsReverse Transcriptase Inhibitors
researchProduct

Experimental and DFT studies on competitive heterocyclic rearrangements. part 2: A one-atom side-chain versus the classic three-atom side-chain (Boul…

2007

The experimental investigation of the base-catalyzed rearrangements of 3-acylamino-1,2,4-oxadiazoles evidenced a new reaction pathway which competes with the well-known ring-degenerate Boulton- Katritzky rearrangement (BKR). The new reaction consists of a one-atom side-chain rearrangement that is base-activated, occurs at a higher temperature than the BKR, and irreversibly leads to the corresponding 2-acylamino-1,3,4-oxadiazoles. An extensive DFT study is reported to elucidate the proposed reaction mechanism and to compare the three possible inherent routes: (i) the reversible three-atom side-chain ring-degenerate BKR, (ii) the ring contraction-ring expansion route (RCRE), and (iii) the one…

CASCADE REARRANGEMENTPHOTOCHEMICAL APPROACHDEGENERATE EQUILIBRATION124-OXADIAZOLE SERIESMONOCYCLIC REARRANGEMENT5-MEMBERED HETEROCYCLESEXPEDIENT ROUTEPHOTOINDUCED MOLECULAR-REARRANGEMENTSGENERALIZED SYNTHESISBASIS-SETS
researchProduct

SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL SMALL MOLECULES AS PROMISING ALTERNATIVE AGENTS TO COUNTERACT DRUG RESISTANCE IN CANCER AND MICROBIAL IN…

2022

Il cancro rimane un grave problema di salute pubblica, rappresentando la seconda principale causa di morte in tutto il mondo. Tra le diverse tipologie di tumori, l'adenocarcinoma duttale pancreatico (PDAC) è una delle forme più letali nell'uomo, a causa della diagnosi tardiva e delle limitate possibilità di trattamento. Pertanto, lo studio di nuove strategie terapeutiche per i pazienti affetti da PDAC è altamente necessario. Allo stesso modo, il mesotelioma rappresenta una malattia rara ma aggressiva, difficile da diagnosticare per il lungo periodo di latenza prima dei segni clinici. Gli approcci terapeutici standard includono la chirurgia, la chemioterapia e la radioterapia. Tuttavia, la s…

CDK1Antibiofilm activityGSK3βMesothelioma ImidazothiadiazolePancreatic cancer124-OxadiazoleSettore CHIM/08 - Chimica Farmaceutica
researchProduct

CCDC 646868: Experimental Crystal Structure Determination

2008

Related Article: T.S.B.Baul, C.Masharing, S.Basu, C.Pettinari, E.Rivarola, S.Chantrapromma, Hoong-Kun Fun|2008|Appl.Organomet.Chem.|22|114|doi:10.1002/aoc.1358

Di-n-butyl-bis(4-((Z)-4-oxopent-2-en-2-ylamino)benzoato-O)-tin(iv)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

Fluorescent Hg2+ Sensors: Synthesis and Evaluation of a Tren-Based Starburst Molecule Containing Fluorinated 1,2,4-Oxadiazoles.

2010

A new tren-based starburst molecule containing fluorinated 1,2,4-oxadiazoles as fluorophores has been synthesized and its sensing behavior toward several metal cations has been investigated by UV/Vis, fluorescence, 1 H NMR and 19 F NMR spectroscopy. Selective sensing for Hg 2+ ions through a PET-based mechanism was evidenced, suggesting application as fluorescent sensor for Hg 2+ of the off-on type.

FluorophoreStereochemistryOrganic ChemistryNuclear magnetic resonance spectroscopySettore CHIM/06 - Chimica OrganicaPhotochemistryFluorescenceChemical synthesischemistry.chemical_compoundElectron transferchemistryProton NMRMoleculePhysical and Theoretical ChemistrySelectivity124-Oxadiazoles Sensors Electron transfer Fluorinated ligands Mercury
researchProduct