Search results for "Pyrimidine"

showing 9 items of 589 documents

Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-olato]disodium]–diethyl ether–metha…

2016

In the title compound, [Na2(C16H7Cl3N5O2)2(CH3OH)4]·C4H10O·2CH3OH, the central pyrazolo[3,4-d]pyrimidine system makes dihedral angles of 82.98 (7)° with the trichlorophenyl ring and 13.11 (15)° with the pyridine ring. The sodium ion has an octahedral environment, being coordinated by four methanol molecules and one O and one N atom of two different heterocyclic ring systems.

pyridinecrystal structure246-trichlorophenylPyrimidineStereochemistryCrystal structureDihedral angle010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistrychemistry.chemical_compoundPyridinelcsh:QD901-999sodiumbiology010405 organic chemistrypyrazolo[34-d]pyrimidin-6-olateGeneral Medicinebiology.organism_classification0104 chemical scienceschemistryTetralcsh:CrystallographyMethanolDiethyl etherIUCrData
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Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors

2023

The present work describes the design and development of seventeen pyrimidine-clubbed benzimidazole derivatives as potential dihydrofolate reductase (DHFR) inhibitors. These compounds were filtered by using ADMET, drug-likeness characteristics calculations, and molecular docking experiments. Compounds 27, 29, 30, 33, 37, 38, and 41 were chosen for the synthesis based on the results of the in silico screening. Each of the synthesized compounds was tested for its in vitro antibacterial and antifungal activities using a variety of strains. All the compounds showed antibacterial properties against Gram-positive bacteria (Staphylococcus aureus and Staphylococcus pyogenes) as well as Gram-negativ…

pyrimidineADMETlab 2.0Organic ChemistryPharmaceutical Sciencemolecular dockingDHFRSettore CHIM/08 - Chimica FarmaceuticabenzimidazoleAnalytical ChemistryDHFR; antifungal; antibacterial; pyrimidines; benzimidazoles; ADMETlab 2.0; molecular dockingantibacterialChemistry (miscellaneous)Drug DiscoveryMolecular MedicinePhysical and Theoretical ChemistryantifungalMolecules; Volume 28; Issue 2; Pages: 501
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Synthesis and Antitumor Evaluation of Menthone-Derived Pyrimidine-Urea Compounds as Potential PI3K/Akt/mTOR Signaling Pathway Inhibitor.

2022

A series of novel menthone derivatives bearing pyrimidine and urea moieties was designed and synthesized to explore more potent natural product-derived antitumor agents. The structures of the target compounds were confirmed by FTIR, NMR, and HRMS. The in vitro antitumor activity was tested by standard methyl thiazolytetrazolium assay and showed that 4i, 4g, 4s, and 4m are the best compounds with IC50 values of 6.04 ± 0.62µM, 3.21 ± 0.67µM, 19.09 ± 0.49µM, and 18.68 ± 1.53µM, against Hela, MGC-803, MCF-7, and A549, respectively. The results of the preliminary action mechanism studies showed that compound 4i, the representative compound, could induce cell apoptosis in Hela cells in a dose-dep…

pyrimidineChemistrysynthesisnervous systemgenetic structuresPI3K/AKT/mTORantitumor activitymenthoneureaGeneral ChemistryQD1-999behavioral disciplines and activitiespsychological phenomena and processesFrontiers in chemistry
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CCDC 238750: Experimental Crystal Structure Determination

2005

Related Article: M.Ruben, U.Ziener, J.-M.Lehn, V.Ksenofontov, P.Gutlich, G.B.M.Vaughan|2005|Chem.-Eur.J.|11|94|doi:10.1002/chem.200400584

tetrakis(mu~2~-46-bis(22':4'4''-Terpyridine-6'-yl)-2-phenylpyrimidine)-tetra-iron(ii) chloride clathrate heptaperchlorate nitromethane unknown solvate hexahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 150832: Experimental Crystal Structure Determination

2001

Related Article: E.Breuning, U.Ziener, J.-M.Lehn, E.Wegelius, K.Rissanen|2001|Eur.J.Inorg.Chem.||1515|doi:10.1002/1099-0682(200106)2001:6<1515::AID-EJIC1515>3.0.CO;2-T

tetrakis(mu~2~-46-bis(6'-(6''-Aminopyrimidin-4''-yl)pyrid-2'-yl)-2-phenylpyrimidine)-tetra-cobalt(ii) dichloride tris(hexafluorosilicate) acetonitrile solvate hydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 256886: Experimental Crystal Structure Determination

2005

Related Article: L.H.Uppadine, J.-P.Gisselbrecht, N.Kyritsakas, K.Nattinen, K.Rissanen, J.-M.Lehn|2005|Chem.-Eur.J.|11|2549|doi:10.1002/chem.200401224

tetrakis(mu~2~-4-(2-Pyridylacetylhydrazino)-6-(N-(6-methyl)-2-pyridylformyl-N'-methylhydrazino)-2-phenylpyrimidine)-di-iron(ii)-di-zinc(ii) bis(tetrafluoroborate) unknown solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 173965: Experimental Crystal Structure Determination

2003

Related Article: G.Marinescu, R.Lecouezec, D.Armentano, G.De Munno, M.Andruh, S.Uriel, R.Llusar, F.Lloret, M.Julve|2002|Inorg.Chim.Acta|336|46|doi:10.1016/S0020-1693(02)00880-0

tetraphenylphosphonium (22'-bipyrimidine)-bis(oxalato)-chromium(iii) monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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MTOR inhibitor-based combination therapies for pancreatic cancer

2018

Background: Although the mechanistic target of rapamycin (MTOR) kinase, included in the mTORC1 and mTORC2 signalling hubs, has been demonstrated to be active in a significant fraction of patients with pancreatic ductal adenocarcinoma (PDAC), the value of the kinase as a therapeutic target needs further clarification. Methods: We used Mtor floxed mice to analyse the function of the kinase in context of the pancreas at the genetic level. Using a dual-recombinase system, which is based on the flippase-FRT (Flp-FRT) and Cre-loxP recombination technologies, we generated a novel cellular model, allowing the genetic analysis of MTOR functions in tumour maintenance. Cross-species validation and pha…

therapeutic resistance0301 basic medicineCancer ResearchCell SurvivalMAP Kinase Signaling Systempancreatic cancerAntineoplastic AgentsContext (language use)Mechanistic Target of Rapamycin Complex 2mTORC1Mechanistic Target of Rapamycin Complex 1BiologymTORC2BortezomibMice03 medical and health sciencesCell Line TumorPancreatic cancermedicineAnimalsHumansExtracellular Signal-Regulated MAP KinasesMechanistic target of rapamycinPI3K/AKT/mTOR pathwayBenzoxazolesKinaseMTORTOR Serine-Threonine Kinasesmedicine.diseaseddc:3. Good healthPancreatic NeoplasmsPyrimidines030104 developmental biologyOncologybiology.proteinCancer researchCamptothecinTOR Serine-Threonine KinasesPhosphatidylinositol 3-KinaseTranslational TherapeuticsProto-Oncogene Proteins c-aktBiologieCarcinoma Pancreatic Ductal
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CCDC 725442: Experimental Crystal Structure Determination

2010

Related Article: E.Colacio, H.Aouryaghal, A.J.Mota, J.Cano, R.Sillanpaa, A.Rodriguez-Dieguez|2009|CrystEngComm|11|2054|doi:10.1039/b906382j

tris((mu~2~-Pyrimidine-2-carboxylato)-tetrakis(NNN'N'-tetramethylethylene-12-diamine))-aqua-chloro-tetra-copper tetraperchlorate hydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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