Kinases are among the most important and successful drug targets. Chemical probe compounds have played a critical role in elucidating the role of kinases in many biological pathways. There are currently twelve well-validated chemical probes that target kinases available free-of-cost via the Molecules to Order (M2O) arm of Boehringer Ingelheim's open innovation platform, opnMe.com. Here we present a summary of the key data for each of these probe compounds and the synthesis routes to all twelve compounds. We hope this will aid researchers who use or plan to use these compounds in their research.
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http://dx.doi.org/10.1002/cmdc.202300031 | DOI Listing |
J Org Chem
January 2025
Chemical Sciences and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology (CSIR-NIIST), Thiruvananthapuram 695019, India.
We have developed efficacious routes toward the selective synthesis of two classes of compounds such as C-3 amino-methylated indoles and 4-indol-3-yl-methylanilines from the same precursors, namely, indoles and 1,3,5-triazinanes. It is reported that the controlled cleavage of 1,3,5-triazinanes can be effected by heat for the generation of aryl imine motifs, and we observed that the presence of Lewis acid influences the course of these transformations toward different products. The reaction toward indol-3-yl-methylanilines proceeds via a nucleophilic attack of indole to the aryl imine generated from the 1,3,5-triazinanes to form an amino-methylated product which undergoes a Lewis acid mediated Hofmann-Martius-type rearrangement.
View Article and Find Full Text PDFOrg Biomol Chem
January 2025
Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Postal Code 616, Birkat Al Mauz, Nizwa, Sultanate of Oman.
The [3 + 2] cycloaddition of dicyanoepoxides with benzylidene Meldrum's acid under microwave irradiation and solvent-free conditions was explored for the synthesis of trioxaspirodecanes. This method presents a highly diastereo- and regioselective route to spiro cycloadducts, delivering similar stereoselectivity to conventional reflux in toluene but with shorter reaction times and improved yields.
View Article and Find Full Text PDFDrug Test Anal
January 2025
KL Maddy Equine Analytical Chemistry Lab (Pharmacology Section), School of Veterinary Medicine, University of California, Davis, California, USA.
Pharmacokinetics is the study of the movement of drug in the body and includes the processes of absorption, distribution, metabolism, and excretion. Pharmacodynamics is the pharmacologic effect of the drug on the body. The pharmacokinetics of a drug determines its pharmacologic effect.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
EaStCHEM School of Chemistry, University of St Andrews, North Haugh, St Andrews KY16 9ST, U.K.
New approaches to achieve facile and reversible dihydrogen activation are of importance for synthesis, catalysis, and hydrogen storage. Here we show that low-coordinate magnesium oxide complexes [{(nacnac)Mg}(μ-O)] , with nacnac = HC(RCNDip), Dip = 2,6-PrCH, R = Me (), Et (), Pr (), readily react with dihydrogen under mild conditions to afford mixed hydride-hydroxide complexes [{(nacnac)Mg}(μ-H)(μ-OH)] . Dehydrogenation of complexes is strongly dependent on remote ligand substitution and can be achieved by simple vacuum-degassing of (R = Pr) to regain .
View Article and Find Full Text PDFBMC Public Health
January 2025
Advanced Wellbeing Research Centre, Sheffield Hallam University, Sheffield, UK.
Background: Workplace health screening rarely includes measures of cardiorespiratory fitness, despite it being a greater predictor of cardiovascular disease and all-cause mortality than other routinely measured risk factors. This study aimed to determine the comparative acceptability of using a novel seismocardiography device to measure cardiorespiratory fitness via VO max during a workplace health check.
Methods: Participants were invited to participate in workplace health screening sessions where VO max was assessed by both seismocardiography at rest and sub-maximal exercise testing, in order for acceptability of both to be compared across multiple domains.
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