Search results for: Waldemar Tejchman

Items from 1 to 10 out of 10 results

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Synthesis, spectroscopy, and theoretical calculations of some 2-thiohydantoin derivatives as possible new fungicides

Katarzyna Kobyłka, Grzegorz Żuchowski, Waldemar Tejchman, Krzysztof K. Zborowski

Journal of Molecular Modeling > 2019 > 25 > 9 > 1-10

We present the synthesis and structure determination for two thiohydantoin compounds (5-benzylidene-2-sulfanylideneimidazolidin-4-one and 5-cinnamylidene-2-sulfanylideneimidazolidin-4-one), proposed as potential novel fungicides. The exact chemical structure of these molecules has not yet been determined since they can potentially exist in several tautomeric and geometric forms (Z-E isomerism). The...

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Why are rhodanines less efficient reagents in Diels–Alder reactions than isorhodanines? A quantum chemical study

Waldemar Tejchman, Michal Michalski, Krzysztof K. Zborowski, Slawomir Berski

Journal of Molecular Modeling > 2019 > 25 > 7 > 1-11

The reactivity of the 5-arylidenerhodanine and 5-arylideneisorhodanine derivatives in reactions with dimethyl maleate was computationally studied at the DFT(M06-2X)/6–311+G(d,p) theory level. Eight stereoisomers of the reaction products were considered. The effect of the solvent was taken into account by means of the continuous and discrete models for acetic acid (PCM and three CH₃COOH molecules)...

article

Pharmacophoric features for a very potent 5‐spirofluorenehydantoin inhibitor of cancer efflux pump ABCB1, based on X‐ray analysis

Ewa Żesławska, Annamária Kincses, Gabriella Spengler, Wojciech Nitek, more

Chemical Biology & Drug Design > 93 > 5 > 844 - 853

In order to extend knowledge about pharmacophoric features responsible for ABCB1 inhibitory properties of imidazolidin‐2,4‐dione derivatives, 1′‐[4‐(4‐(o‐methoxyphenyl)‐piperazin‐1‐yl)butyl]‐3′‐methyl‐spiro(fluoren‐9,5′‐imidazolidine)‐2′,4′‐dione (3) and its salt (4) with rhodanine‐3‐acetic acid (RA) were prepared and investigated by X‐ray diffraction method, as well as their efflux modulating effects...

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Spectral Characteristic and Preliminary Anticancer Activity in vitro of Selected Rhodanine‐3‐carboxylic Acids Derivatives

Iwona Stawoska, Waldemar Tejchman, Olga Mazuryk, Antonín Lyčka, more

Journal of Heterocyclic Chemistry > 54 > 5 > 2889 - 2897

Selected rhodanine‐3‐carboxylic acids derivatives were synthesized to determine the influence of the structure and the length of the linker between the carboxyl group and the nitrogen atom (N‐3) in the 2‐thioxo‐4‐thiazolidinone ring on their activity, monitored via interactions with human serum albumin. Based on fluorescence studies, we concluded that the length of the linker has a limited impact...

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Structural analysis and antimicrobial activity of 2[1H]-pyrimidinethione/selenone derivatives

Ewa Żesławska, Izabela Korona-Głowniak, Małgorzata Szczesio, Andrzej Olczak, more

Journal of Molecular Structure > 2017 > 1142 > C > 261-266

Four new crystal structures of sulfur and selenium analogues of 2[1H]-pyrimidinone derivatives were determined with the use of X-ray diffraction method. The molecular geometry and intermolecular interactions of the investigated molecules were analyzed in order to find the structural features and geometrical parameters, which can be responsible for antimicrobial activities. The influence of chalcogen...

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Antibacterial properties of 5-substituted derivatives of rhodanine-3-carboxyalkyl acids

Waldemar Tejchman, Izabela Korona-Glowniak, Anna Malm, Marek Zylewski, more

Medicinal Chemistry Research > 2017 > 26 > 6 > 1316-1324

A series of rhodanine 3-carboxyalkanoic acid derivatives possessing 4′-(N,N-dialkyl-amino or diphenylamino)-benzylidene moiety as a substituent at the C-5 position were synthesised and their antibacterial activity was screened. All the rhodanine derivatives showed bacteriostatic or bactericidal activity to the reference gram-positive bacterial strains, but lack of activity to the reference Gram-negative...

article

A DFT study on tautomerism of selenorhodanine and its substituted derivatives

Waldemar Tejchman, Krzysztof Zborowski

Computational and Theoretical Chemistry > 2016 > 1087 > C > 6-11

Rhodanine (2-thioxo-4-thiazolidinone) is a compound with a strong biological activity. It is also a ligand widely used in coordination chemistry. Replacing its exocyclic sulfur atom with selenium generates so called selenorhodanine. Selenorhodanine can exist in several tautomeric forms. Thus, the main aim of our research is to study the tautomeric equilibria in un substitued and substituted selenorhodanines...

article

The Crystal Structures of Three Rhodanine-3-Carboxylic Acids

Waldemar Tejchman, Agnieszka Skórska-Stania, Ewa Żesławska

Journal of Chemical Crystallography > 2016 > 46 > 4 > 181-187

The rhodanine derivatives show various pharmacological activities. Rhodanine-3-carboxylic acids can be used as the substrates in various synthesis of compounds containing rhodanine-3-carboxyalkyl moiety. In this paper new crystal structures of rhodanine-3-acetic acid and its two homologues, i.e. rhodanine-3-propionic acid and rhodanine-3-butyric acid, are reported. The relationship between the length...

article

Molecular properties of selenomaltols: new interesting ligands for bioactive metal complexes

Waldemar Tejchman, Leonard M. Proniewicz, Krzysztof K. Zborowski

Journal of Physical Organic Chemistry > 28 > 8 > 536 - 541

Properties of numerous selenium derivatives of maltol (3‐hydroxy‐2‐methyl‐4H‐pyran‐4‐one), which is an important ligand in medicinal chemistry, were studied. Selenium derivatives were obtained using consecutive in silico replacements of maltol oxygen atoms, which produced three mono‐substituted, three di‐substituted and one tri‐substituted derivatives. The geometry optimisations for these compounds...

article

The Synthesis and Crystal Structures of the Homologues of Epalrestat

Ewa Żesławska, Wojciech Nitek, Waldemar Tejchman

Journal of Chemical Crystallography > 2015 > 45 > 3 > 151-157

Two homologues of epalrestat were synthesized and characterized by IR, MS, elemental analysis, ¹ H NMR, ¹³ C NMR and their crystal structures were determined by X-ray diffraction method. The crystals of both compounds belong to the triclinic centrosymmetric space group. In both crystal structures the carboxyl groups are involved in the strong O–H···O hydrogen bonds....

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Keywords

RHODANINE (3)
CRYSTAL STRUCTURE (2)
INTERMOLECULAR INTERACTIONS (2)
RHODANINE-3-ACETIC ACID (2)
TAUTOMERISM (2)
X-RAY CRYSTAL STRUCTURE (2)
2-THIOHYDANTOIN (1)
2[1H]-PYRIMIDINESELENONE (1)
2[1H]-PYRIMIDINETHIONE (1)
ANTIBACTERIAL ACTIVITY (1)
ANTIBACTERIALS (1)
ANTIFUNGALS (1)
AROMATICITY (1)
ARYLPIPERAZINE DERIVATIVE OF HYDANTOIN (1)
DFT (1)
DIELS-ALDER (1)
DIMETHYL MALEATE (1)
EFFLUX PUMP INHIBITOR (1)
HETEROAROMATICITY (1)
HOMOLOGUES OF EPALRESTAT (1)
HYDANTOIN (1)
HYDROXYPYRONES (1)
ISORHODANINE (1)
ISOSTRUCTURAL CRYSTAL PACKING (1)
MALTOL (1)
N-(CARBOXYALKYL)RHODANINE (1)
PHARMACOPHOR (1)
RHODANINE‐3‐ACETIC ACID (1)
SELENOMALTOLS (1)
SELENORHODANINE (1)
SOLVATE (1)
STRUCTURE DETERMINATION (1)
SUBSTITUENT EFFECT (1)
SYNTHESIS OF EPALRESTAT (1)
THEORETICAL CALCULATIONS (1)
THIAZOLIDINE RING (1)
THIAZOLIDINE-4-ONE (1)
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Search results for: Waldemar Tejchman

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