0000000000181554

AUTHOR

Lucija Hok

0000-0003-0731-1293

showing 12 related works from this author

Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles

2021

Unlike the closely related and widely investigated amidino-substituted benzimidazoles and benzothiazoles with a range of demonstrated biological activities, the matching benzoxazole analogues still remain a largely understudied and not systematically evaluated class of compounds. To address this challenge, we utilized the Pinner reaction to convert isomeric cyano-substituted 2- aminophenols into their amidine derivatives, which were isolated as hydrochlorides and/or zwitterions, and whose structure was confirmed by single crystal X-ray diffraction. The key step during the Pinner synthesis of the crucial carboximidate intermediates was characterized through mechanistic DFT calculations, with…

Models MolecularAmidinesAntineoplastic AgentsAminophenolsCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryAmidinechemistry.chemical_compoundCell Line TumorHumansPinner reactionPhysical and Theoretical ChemistryDensity Functional TheoryCell ProliferationBenzoxazolesMolecular Structurebenzoxazoles ; amidino-functionalization ; Pinner reaction ; organic synthesis ; X-ray analysis ; antiproliferative activity ; DFT calculations010405 organic chemistryArylOrganic ChemistryBiological activityBenzoxazoleCondensation reactionCombinatorial chemistry0104 chemical sciences3. Good healthCarboximidatechemistrySurface modificationDrug Screening Assays AntitumorOrganic & Biomolecular Chemistry
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CCDC 2060885: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershydrogen bis(2-amino-4-[amino(iminio)methyl]phenolate) chloride dihydrateExperimental 3D Coordinates
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CCDC 2060891: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallographyCrystal System3-amino-4-hydroxy-N'-(propan-2-yl)benzene-1-carboximidamidium chloride ethanol solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2060888: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

hydrogen bis(2-(3-amino-4-oxyphenyl)-45-dihydro-1H-imidazol-3-ium) chloride tetrahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2060887: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

2-amino-4-[amino(iminio)methyl]phenolate dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2060884: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallographyCrystal SystemCrystal Structure2-amino-3-hydroxybenzonitrileCell ParametersExperimental 3D Coordinates
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CCDC 2060886: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershydrogen bis(2-amino-4-[amino(iminio)methyl]phenolate) chloride dihydrateExperimental 3D Coordinates
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CCDC 2060892: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallography2-(3-ammonio-4-hydroxyphenyl)-4567-tetrahydro-1H-13-diazepin-3-ium bis(methanesulfonate) monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2060893: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallography{4-[amino(iminio)methyl]-2-hydroxyphenyl}ammonium dichlorideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2060890: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates2-amino-4-(3456-tetrahydropyrimidin-1-ium-2-yl)phenolate monohydrate
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CCDC 2060889: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallographyCrystal System2-amino-4-(45-dihydro-1H-imidazol-3-ium-2-yl)phenolate hydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2060894: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

Space GroupCrystallography2-(4-amino-3-hydroxyphenyl)-45-dihydro-1H-imidazol-3-ium chloride dihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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