Search results for: Wim Dehaen

Items from 1 to 20 out of 190 results

article

Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library

M. Isabel Agea, Ivan Čmelo, Wim Dehaen, Ya Chen, more

Molecular Informatics > 43 > 8 > n/a - n/a

Computational exploration of chemical space is crucial in modern cheminformatics research for accelerating the discovery of new biologically active compounds. In this study, we present a detailed analysis of the chemical library of potential glucocorticoid receptor (GR) ligands generated by the molecular generator, Molpher. To generate the targeted GR library and construct the classification models,...

article

Exploration of 1,2,3‐triazolo fused triterpenoids as inhibitors of human coronavirus 229E targeting the viral nsp15 protein

Rui Wang, Annelies Stevaert, Tien Nguyen Truong, Qifei Li, more

Archiv der Pharmazie > 357 > 1 > n/a - n/a

The coronavirus disease‐19 (COVID‐19) pandemic has raised major interest in innovative drug concepts to suppress human coronavirus (HCoV) infections. We previously reported on a class of 1,2,3‐triazolo fused betulonic acid derivatives causing strong inhibition of HCoV‐229E replication via the viral nsp15 protein, which is proposedly related to compound binding at an intermonomer interface in hexameric...

article

Pharmacokinetic, pharmacodynamic, and behavioural studies of deschloroketamine in Wistar rats

Kristýna Štefková‐Mazochová, Hynek Danda, Wim Dehaen, Bronislav Jurásek, more

British Journal of Pharmacology > 179 > 1 > 65 - 83

Background and purpose Deschloroketamine (DCK), a structural analogue of ketamine, has recently emerged on the illicit drug market as a recreational drug with a modestly long duration of action. Despite it being widely used by recreational users, no systematic research on its effects has been performed to date. Experimental approach Pharmacokinetics, acute effects, and addictive potential in a...

article

Tandem Nenitzescu Reaction/Nucleophilic Aromatic Substitution to Form Novel Pyrido Fused Indole Frameworks

Rashmi Singh, Harshita Bhatia, Prabhat Prakash, Elke Debroye, more

European Journal of Organic Chemistry > 2021 > 34 > 4865 - 4875

5‐Hydroxyindoles are privileged structures that form part of various bioactive compounds. The Nenitzescu reaction of quinones and enamines is one of the most powerful methods to obtain 5‐hydroxyindoles. In this work, we have applied the Nenitzescu reaction to 2‐(2‐chloropyrid‐3‐yl)benzoquinones. Mixtures of regioisomers were obtained that could be separated in the 4‐ and 6‐substituted analogues, and...

article

Redox and pH‐Responsive NCC/L‐Cysteine/CM‐β‐CD/FA Contains Disulfide Bond‐Bridged as Nanocarriers for Biosafety and Anti‐Tumor Efficacy System

Sedigheh Ehsanimehr, Peyman Najafi Moghadam, Wim Dehaen, Vahid Shafiei‐Irannejad

Starch ‐ Stärke > 73 > 9-10 > n/a - n/a

In the present research, a new nanocarrier for targeted drug delivery to tumor cells based on nanocrystalline cellulose (NCC) was synthesized. For this purpose, firstly, the NCC was prepared from microcrystalline cellulose by acidic hydrolysis and then it was modified by aminopropyl trimethoxy silane (APTMS) as a linker. The L‐cysteine was oxidized to form a disulfide bond and conjugated to modify...

article

New Metal‐Free Route towards Imidazole‐Substituted Uridine

Henri‐Philippe Mattelaer, Anne‐Sophie Van Hool, Flip de Jong, Mark Van der Auweraer, more

European Journal of Organic Chemistry > 2020 > 26 > 4022 - 4025

Nucleosides with a bi(hetero)aryl nucleobase have unique potential applications as antiviral drugs and molecular probes. The need for transition metal catalysis to synthesize these nucleosides from pre‐functionalized building blocks and the use of nucleobase protection groups results in expensive and tedious syntheses. Herein we report that 5‐imidazolyl‐uracil can be obtained by scalable Van Leusen...

article

A Base‐Controlled Reaction of 2‐Cyanoacetamidines (3,3‐Diaminoacrylonitriles) with Sulfonyl Azides as a Route to Nonaromatic 4‐Methylene‐1,2,3‐triazole‐5‐imines

Pavel S. Silaichev, Tetyana V. Beryozkina, Mikhail S. Novikov, Wim Dehaen, more

European Journal of Organic Chemistry > 2020 > 24 > 3688 - 3698

Reactions of 2‐cyanoacetamidines with sulfonyl azides were shown to take place via two different pathways to form a mixture of 1‐substituted 5‐amino‐1,2,3‐triazoles 3 and novel 4‐methylene‐1H‐1,2,3‐triazole‐5(4H)‐imine derivatives 4–14. In the absence of a base, 5‐amino‐1,2,3‐triazoles 3 are formed as the only products. The presence of 1.2 equiv. of sodium ethoxide or DBU switches the reaction outcome...

article

New transformations of N-hetarylcyclopentano[d][1,2,3]triazoline ring into 5-alkoxyvaleramidines

Nikolay A. Belyaev, Tetyana V. Beryozkina, Gert Lubec, Wim Dehaen, more

Chemistry of Heterocyclic Compounds > 2018 > 54 > 11 > 1050-1055

It was found that brief refluxing of N-hetarylcyclopentano[d][1,2,3]triazolines in methanol resulted in the elimination of nitrogen, accompanied by cyclopentane ring opening with the formation of N-hetarylvaleramidines. Amidines containing pyrimidine-2,4-dione ring were synthesized by a one-step procedure – the reaction of 5-azidopyrimidine-2,4-diones with endocyclic enamines containing a cyclopentene...

article

Ionic Liquid‐Based Liquid–Liquid Microextraction for Benzodiazepine Analysis in Postmortem Blood Samples

Marieke De Boeck, Wim Dehaen, Jan Tytgat, Eva Cuypers

Journal of Forensic Sciences > 63 > 6 > 1875 - 1879

Sample preparation is rapidly improving to fulfill the need for faster and more environmentally friendly alternatives. In this respect, ionic liquid‐based dispersive liquid–liquid microextraction (IL‐DLLME) is an interesting technique. However, it has not yet been evaluated for the analysis of postmortem samples, which are frequently analyzed in forensic toxicology. This study investigates the applicability...

article

Modifying Rap1-signalling by targeting Pde6δ is neuroprotective in models of Alzheimer’s disease

Michael Dumbacher, Tom Van Dooren, Katrien Princen, Koen De Witte, more

Molecular Neurodegeneration > 2018 > 13 > 1 > 1-21

Background Neuronal Ca²⁺ dyshomeostasis and hyperactivity play a central role in Alzheimer’s disease pathology and progression. Amyloid-beta together with non-genetic risk-factors of Alzheimer’s disease contributes to increased Ca²⁺ influx and aberrant neuronal activity, which accelerates neurodegeneration in a feed-forward fashion. As such, identifying new targets and drugs to modulate excessive...

article

Multi‐Gram Scale Synthesis of 1,2,3‐Triazolium Ionic Liquids and Assay of Their Resistance towards Bases

Stijn Raiguel, Joice Thomas, Koen Binnemans, Wim Dehaen

European Journal of Organic Chemistry > 2018 > 35 > 4850 - 4856

An easily upscalable synthesis method for 1,2,3‐triazolium ionic liquids is presented. Several ionic liquids were synthesized and characterized. The influence of the side chain structure on the base‐stability was investigated. One example, functionalized with linear alkyl side chains, was found to exhibit excellent stability against hot concentrated NaOH solutions and Grignard reagents.

article

Promising Molecules for Optoelectronic Applications: Synthesis of 5,10‐Dihydrobenzo[a]indolo[2,3‐c]carbazoles by Scholl Reaction of 1,2‐Bis(indol‐2‐yl)benzenes

Mathias Daniels, Flip de Jong, Koen Kennes, Cristina Martín, more

European Journal of Organic Chemistry > 2018 > 34 > 4683 - 4688

Only a few straightforward procedures for the preparation of indolo[2,3‐c]carbazoles are known, despite promising features for material applications. Herein we present a convenient synthesis of 5,10‐dihydrobenzo[a]indolo[2,3‐c]carbazoles using an oxidative cyclization of 1,2‐bis(1H‐indol‐2‐yl)benzenes prepared from readily accessible starting materials. Functionalization through electrophilic aromatic...

article

Cover Feature: Promising Molecules for Optoelectronic Applications: Synthesis of 5,10‐Dihydrobenzo[a]indolo[2,3‐c]carbazoles by Scholl Reaction of 1,2‐Bis(indol‐2‐yl)benzenes (Eur. J. Org. Chem. 34/2018)

Mathias Daniels, Flip de Jong, Koen Kennes, Cristina Martín, more

European Journal of Organic Chemistry > 2018 > 34 > 4647 - 4647

The Cover Feature shows benzo[a]indolo[2,3‐c]carbazole in the spotlight. From five possible indolocarbazole isomers, the indolo[2,3‐c]carbazole isomer is the least explored. A straightforward synthesis from readily available starting materials and several post‐functionalization strategies is discussed. Tunability of the spectroscopic properties of benzo[a]indolo[2,3‐c]carbazole is illustrated by the...

article

Evaluation of 11 ionic liquids as potential extraction solvents for benzodiazepines from whole blood using liquid-liquid microextraction combined with LC-MS/MS

Marieke De Boeck, Giacomo Damilano, Wim Dehaen, Jan Tytgat, more

Talanta > 2018 > 184 > C > 369-374

Ionic liquids (ILs) are becoming a trending topic in sample preparation technology, due to their low volatility, low flammability and tunable physiochemical properties. The latter affords the opportunity for creating task-specific solvents. In toxicology, these tailored ILs were not introduced yet; however, they can be significant for drug extraction purposes. This study screens 11 commercially available...

article

Fast and easy extraction of antidepressants from whole blood using ionic liquids as extraction solvent

Marieke De Boeck, Lisa Dubrulle, Wim Dehaen, Jan Tytgat, more

Talanta > 2018 > 180 > C > 292-299

This study aims to prove that ionic liquids (ILs) can be used as extraction solvents in a liquid-liquid microextraction, coupled to LC-MS/MS, for the quantification of a large group of antidepressants in whole blood samples. The sample preparation procedure consisted of adding 1.0mL aqueous buffer pH 3.0 and 60µL of IL (1-butyl-3-methylimidazolium hexafluorophosphate) to 1.0mL whole blood. Subsequently,...

article

The Rich Chemistry Resulting from the 1,3‐Dipolar Cycloaddition Reactions of Enamines and Azides

Vasiliy A. Bakulev, Tetyana Beryozkina, Joice Thomas, Wim Dehaen

European Journal of Organic Chemistry > 2018 > 3 > 262 - 294

Enamines exhibit exceptionally high reactivity in their 1,3‐dipolar cycloaddition reactions with azides in comparison with other dipolarophiles. This review includes the reactions of various types of enamines with azides of different nature, including catalytic processes. The initial products of the reaction, 1,2,3‐triazolines, are generally unstable and very reactive compounds which are prone to...

article

Methylated flavonoids as anti-seizure agents: Naringenin 4′,7-dimethyl ether attenuates epileptic seizures in zebrafish and mouse models

Daniëlle Copmans, Adriana M. Orellana-Paucar, Gert Steurs, Yifan Zhang, more

Neurochemistry International > 2018 > 112 > C > 124-133

Epilepsy is a neurological disease that affects more than 70 million people worldwide and is characterized by the presence of spontaneous unprovoked recurrent seizures. Existing anti-seizure drugs (ASDs) have side effects and fail to control seizures in 30% of patients due to drug resistance. Hence, safer and more efficacious drugs are sorely needed. Flavonoids are polyphenolic structures naturally...

article

Synthesis of Polycyclic Dihydroindoles by Selective Decomposition of Bis(1,2,3‐triazoles) Mediated by Rhodium Catalysis

Sampad Jana, Robby Vroemans, Wim Dehaen

Advanced Synthesis & Catalysis > 359 > 18 > 3085 - 3089

We report the selective decomposition of bis(1,2,3‐triazoles) under rhodium(II) catalysis. The bis(1,2,3‐triazoles) undergo an intramolecular transannulation reaction via an azavinylcarbene intermediate, resulting in the formation of polycyclic dihydroindoles containg a fused triazole ring.

article

Synthesis and anticancer activity of novel aza-artemisinin derivatives

Sampad Jana, Shabina Iram, Joice Thomas, Sandra Liekens, more

Bioorganic & Medicinal Chemistry > 2017 > 25 > 14 > 3671-3676

Three series of aza-artemisinin derivatives were synthesized for studies of anticancer activity. The first series of compounds were prepared via copper(I)-catalyzed azide alkyne cycloaddition, so called “click reaction”, starting from propargyl derivatives of 11-aza-artemisinin and various azides, whereas the second and third series of compounds were prepared by triazolization reaction starting from...

article

Selenium containing macrocycles: transformation between Se–N/Se–S/Se–Se bonds

Shaobo Ji, Hicham El Mard, Mario Smet, Wim Dehaen, more

Science China Chemistry > 2017 > 60 > 9 > 1191-1196

Macrocycles possess potential applications in supramolecular chemistry and biosystems. Thus development of new kinds of macrocycles is of significance. Herein, novel macrocycles containing Se–Se/Se–S bonds were synthesized via transformation between selenium related dynamic covalent bonds. A monomer containing two ebselen moieties was synthesized (M1). The Se–N bonds in M1 were reduced by dithiothreitol,...

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INFONA - science communication portal

Search results for: Wim Dehaen

Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library

Exploration of 1,2,3‐triazolo fused triterpenoids as inhibitors of human coronavirus 229E targeting the viral nsp15 protein

Pharmacokinetic, pharmacodynamic, and behavioural studies of deschloroketamine in Wistar rats

Tandem Nenitzescu Reaction/Nucleophilic Aromatic Substitution to Form Novel Pyrido Fused Indole Frameworks

Redox and pH‐Responsive NCC/L‐Cysteine/CM‐β‐CD/FA Contains Disulfide Bond‐Bridged as Nanocarriers for Biosafety and Anti‐Tumor Efficacy System

New Metal‐Free Route towards Imidazole‐Substituted Uridine

A Base‐Controlled Reaction of 2‐Cyanoacetamidines (3,3‐Diaminoacrylonitriles) with Sulfonyl Azides as a Route to Nonaromatic 4‐Methylene‐1,2,3‐triazole‐5‐imines

New transformations of N-hetarylcyclopentano[d][1,2,3]triazoline ring into 5-alkoxyvaleramidines

Ionic Liquid‐Based Liquid–Liquid Microextraction for Benzodiazepine Analysis in Postmortem Blood Samples

Modifying Rap1-signalling by targeting Pde6δ is neuroprotective in models of Alzheimer’s disease

Multi‐Gram Scale Synthesis of 1,2,3‐Triazolium Ionic Liquids and Assay of Their Resistance towards Bases

Promising Molecules for Optoelectronic Applications: Synthesis of 5,10‐Dihydrobenzo[a]indolo[2,3‐c]carbazoles by Scholl Reaction of 1,2‐Bis(indol‐2‐yl)benzenes

Cover Feature: Promising Molecules for Optoelectronic Applications: Synthesis of 5,10‐Dihydrobenzo[a]indolo[2,3‐c]carbazoles by Scholl Reaction of 1,2‐Bis(indol‐2‐yl)benzenes (Eur. J. Org. Chem. 34/2018)

Evaluation of 11 ionic liquids as potential extraction solvents for benzodiazepines from whole blood using liquid-liquid microextraction combined with LC-MS/MS

Fast and easy extraction of antidepressants from whole blood using ionic liquids as extraction solvent

The Rich Chemistry Resulting from the 1,3‐Dipolar Cycloaddition Reactions of Enamines and Azides

Methylated flavonoids as anti-seizure agents: Naringenin 4′,7-dimethyl ether attenuates epileptic seizures in zebrafish and mouse models

Synthesis of Polycyclic Dihydroindoles by Selective Decomposition of Bis(1,2,3‐triazoles) Mediated by Rhodium Catalysis

Synthesis and anticancer activity of novel aza-artemisinin derivatives

Selenium containing macrocycles: transformation between Se–N/Se–S/Se–Se bonds

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