The crystal packing of two spirohydantoins was analyzed through the contribution dimeric motifs and different interactions. cooperative effect rationalized in terms formation a new region, as result F⋯F interaction.

A series of cycloalkane-5-spirohydantoins bearing a halogeno substituted benzyl group (X = Cl and Br) in position 3 has been synthesized their structures (1–6) have determined by single crystal X-ray diffraction method. These compounds multiple functional groups, which allow greater competition and/or cooperation among the different intermolecular interactions formation structures. The molecules are linked together paired N–H⋯O hydrogen bonds R22(8) rings, while C–H⋯O lead to further...

Investigation of self-assembly pathways 5-phenylhydantoins which results either in racemates, racemic hydrate or conglomerates, as well a docking study on three different targets, is presented.

The esters of substituted 1,4-dihydropyirdines (1,4-DHP) are formed in the reaction an appropriate aldehyde and ethyl acetoacetate presence concentrated water solution ammonia. form amides by with primary amines. series has been synthesized aim to analyze their chemical characteristics, antioxidant antimicrobial activity. amine used this research is 2-aminothiazole. activity analysed 2,2-diphenyl-1-picrylhydrazyl (DPPH) 2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) methods...

Abstract Lipophilicity has, for a long time, been recognized as meaningful parameter in structure‐activity relationships. It is also the single most informative physicochemical property that reveals wealth of information on intermolecular forces, intramolecular interactions, and molecular structure broadest sense. In this paper, total 14 chromatographic measures lipophilicity (thin‐layer chromatography high‐performance liquid chromatography) 11 computationally estimated log P ‐s 21 newly...

The conformational and supramolecular diversity of spirohydantoins have been investigated.

A series of spirohydantoin derivatives synthesized in our laboratory have been analyzed by reversed-phase liquid chromatography. Retention data obtained two chromatographic modes (TLC and HPLC) were used to evaluate the lipophilicity. Quantitative–structure–retention relationship modeling multiple linear regression applied with purpose quantify different types interactions that govern retention. The model showed high predicting power RM0 values on basis partition coefficient ability molecule...

A Quantitative structure-retention relationship (QSRR) analysis has been performed on the chromatography parameters of lipophilicity selected spirohydantoins. Multiple linear regression (MLR) was applied to construct QSRR models. The chromatographic were determined by reversed-phase thin-layer chromatography. Chromatographic analyses C-18 modified silica gel with a two-component mobile phase consisting water and protic organic solvent (ethanol, n-propanol, i-propanol, or t-butanol) in...

Hydantoin is a nonaromatic five-membered heterocycle, which considered valuable, privileged scaffold in medicinal chemistry. The importance of the hydantoin drug dis-covery has been reinforced by several medicines clinical use, such as anticonvulsants (phenyto-in), antibiotics (nitrofurantoin), anticancer drugs (enzalutamide) and keratolytics (allantoin). To design new potentially pharmacologically active compounds, six spirohydantoin derivatives were synthetized fully characterized...

Azo dyes are known as structurally diverse class of organic compounds bearing one or more azo groups (–N=N–) a bridge between residues which at least is an aromatic moiety. This group synthetic obtained easily by the reaction diazo coupling with high yield. The importance reflected in fact that they account for 60 % total number dye structures to be manufactured and used coloration textiles, leather, plastics cosmetics. Aside from their traditional usage, therapeutic properties wide range...

Hydantois have been identified as constituents of a number pharmacologically active molecules. In the present study, we examined in vitro antiproliferative activity against human colon cancer cell lines HCT-116 three series 3-(4-substituted benzyl)-hydantoins with various substituent attached position 5 hydantoin ring. Since investigated compounds recently synthesized and show activity, good understanding properties potential drug responsible for their pharmacokinetics is an important goal...

A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and 4-methoxybenzyl unit, was synthesized its crystal structure determined. To define the relationship between molecular stereochemistry spatial association modes, development of packing analyzed through cooperativity intermolecular interactions. Homo heterochiral dimeric motifs were stabilized by N-H⋅⋅⋅O, C-H⋅⋅⋅O, C-H⋅⋅⋅π interactions parallel at large offsets (PILO), thus forming alternating double layers. The...

A convenient and efficient approach toward the synthesis of seven aromatically substituted xanthendiones 1?7 one structurally-related xanthenone 8 through condensation dimedone appropriate aromatic aldehyde is reported. Further, their chemical structure was confirmed by melting points, elemental analysis, FT-IR, 1H-, 13C-NMR UV?Vis spectroscopic methods. The relationship between pharmacological activity determined empirically using software packages in vitro...

Abstract In this study we screened twelve newly synthesised N -(substituted phenyl)-2-chloroacetamides for antimicrobial potential relying on quantitative structure-activity relationship (QSAR) analysis based the available cheminformatics prediction models (Molinspiration, SwissADME, PreADMET, and PkcSM) verified it through standard testing against Escherichia coli , Staphylococcus aureus methicillin-resistant S. (MRSA), Candida albicans . Our compounds met all screening criteria of...

In this study, lipophilicity of 21 cycloalkylspiro-5-hidantoins was assessed. The overall goal evaluation is preliminary investigation which should result in a decrease the traditionally high attrition rates for compounds entering clinical trials. Lipophilicity assessment done by reversed-phase thin-layer chromatography and silico methods. Chromatographic analyses were performed on C-18 modified silica gel with two-component mobile phase consisting water organic solvent (acetonitrile,...

To create new anticonvulsant drugs, two series of spirohydantoins derived from ?-tetralone bearing a 4-substituted benzyl group (1a?1g) or 2-(4-substituted phenyl)-2-oxoethyl (2a?2f) in position 3 the hydantoin ring were synthesized. The chemical structure these compounds was confirmed by determination melting point, elemental analysis and FT-IR, 1H NMR, 13C NMR UV-Vis spectroscopic methods. Effects substituents moiety on shift absorption maxima 1a?1g 2a?2f analyzed using Hammett's equation....

Spirohidantoins represent an pharmacologically important class of heterocycles since many derivatives have been recognized that display interesting activities against a wide range biological targets. First synthesis cycloalkanespiro-5-hydantoins was performed by Bucherer and Lieb 1934 the reaction cycloalkanone, potassium cyanide ammonium-carbonate at reflux in mixture ethanol water. QSAR (Quantitative Structure-Activity Relationship) studies showed spirohydantoin strongly depend upon their...