15568-85-1Relevant articles and documents
FT-IR and FT-Raman spectroscopies and DFT calculations of 2,2-dimethyl-5-(4H-1,2,4-triazol-4-ylaminomethylene)-1,3-dioxane-4,6-dione monohydrate
Sampaio,Teixeira,Coutinho,De Sena Junior,Freire,Caselli,Gusm?o,Bento,Silva
, p. 170 - 176 (2013)
In this work we present a study of the vibrational spectra of 2,2-dimethyl-5-(4H-1,2,4-triazol-4-ylaminomethylene)-1,3-dioxane-4,6-dione monohydrate, C9H10N4O4?H 2O. The FT-IR and FT-Raman spectra of the crystal were recorded at room temperature in the regions 400-4000 cm-1 and 50-4000 cm -1, respectively. Vibrational wavenumbers and wave vector were predicted using density functional theory calculations with the B3LYP functional and 6-31G(d,p) basis set. The descriptions of the normal modes were made after considering the Potential Energy Distribution (PED). A comparison with experimental spectra allowed us to assign all of the normal modes of the crystal.
Design, synthesis, and photophysical properties of pyrroloquinoline-based compounds showing strong blue fluorescence as potential dyes for biomedical applications
Carta, Davide,Balasso, Anna,Caliceti, Paolo,Ferlin, Maria Grazia
, p. 1846 - 1862 (2015)
A small library of 3-ethylpyrrolo[3,2-f]quinoline derivatives was synthesized to identify a novel class of dyes for use in biological studies. According to the spectroscopic analyses performed to evaluate the fluorimetric parameters of quantum yield and brightness, 7-methyl- and 6,7-dimethylpyrroloquinolin(9)one derivatives were found to be the best blue luminescent dyes for biological applications. To enhance the luminescence profiles and to obtain probes that could be conjugated to functional groups of supramolecular drug delivery systems, these compounds were further modified at position 3 to obtain 3-heptanoic acid and 3-aminohexylpyrroloquinolin(9)one methylated derivatives. The most brilliant 6,7-dimethyl-3-aminohexylpyrroloquinolinone hydrochloride was conjugated to pullulan, a biocompatible polysaccharide used to produce colloidal systems for drug delivery. Comparative studies showed that this compound can be properly exploited as a blue fluorescent label in biological investigations, namely cell trafficking and pharmacokinetics/biodistribution studies. These molecules possess higher fluorescence efficiency than commercial dyes in biological media, making them suitable alternatives to commercially available products in current use. New and blue: A series of pyrroloquinoline-based fluorochromes that emit in the blue wavelength region were synthesized, and their spectral properties were exhaustively evaluated. Some of them showed characteristics similar to or even better than those of AMCA, the known coumarinic scaffold of commercial dyes. The amino-reactive compound 38 coupled to pullulan was found to have very promising potential as a labeling agent for biological applications.
PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE
-
Paragraph 0378, (2021/04/02)
The present disclosure relates generally to compounds and pharmaceutical compositions suitable as modulators of protein kinases, and methods for their use in treating disorders mediated, at least in part by, protein kinases.
Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype
Wellaway, Christopher R.,Bamborough, Paul,Bernard, Sharon G.,Chung, Chun-Wa,Craggs, Peter D.,Cutler, Leanne,Demont, Emmanuel H.,Evans, John P.,Gordon, Laurie,Karamshi, Bhumika,Lewis, Antonia J.,Lindon, Matthew J.,Mitchell, Darren J.,Rioja, Inmaculada,Soden, Peter E.,Taylor, Simon,Watson, Robert J.,Willis, Rob,Woolven, James M.,Wyspiańska, Beata S.,Kerr, William J.,Prinjha, Rab K.
supporting information, p. 9020 - 9044 (2020/08/24)
The bromodomain and extraterminal domain (BET) family of epigenetic regulators comprises four proteins (BRD2, BRD3, BRD4, BRDT), each containing tandem bromodomains. To date, small molecule inhibitors of these proteins typically bind all eight bromodomains of the family with similar affinity, resulting in a diverse range of biological effects. To enable further understanding of the broad phenotype characteristic of pan-BET inhibition, the development of inhibitors selective for individual, or sets of, bromodomains within the family is required. In this regard, we report the discovery of a potent probe molecule possessing up to 150-fold selectivity for the N-terminal bromodomains (BD1s) over the C-terminal bromodomains (BD2s) of the BETs. Guided by structural information, a specific amino acid difference between BD1 and BD2 domains was targeted for selective interaction with chemical functionality appended to the previously developed I-BET151 scaffold. Data presented herein demonstrate that selective inhibition of BD1 domains is sufficient to drive anti-inflammatory and antiproliferative effects.
