4489-34-3Relevant articles and documents
An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4,6-dichloro-2-(methylsulfonyl)pyrimidine: A potential third-order nonlinear optical material
Murthy, P. Krishna,Valverde, Clodoaldo,Suneetha,Armakovi?, Stevan,Armakovi?, Sanja J.,Rani, N. Usha,Naidu, N. Venkatasubba
, p. 263 - 275 (2019)
In this work the 4,6-dichloro-2-(methylsulfonyl)pyrimidine (DCMSP) has been synthesized from 4,6-dichloro-2-(methylthio)pyrimidine, its molecular and electronic structure was authenticated by detailed spectroscopic signature studies (via SCXRD, FT-Raman, FT-IR and (1H & 13C) NMR), Hirshfeld surface analysis and DFT calculations. The solid-state crystal structure of DCMSP corroborated by the single crystal X-ray diffraction studies, features C[sbnd]H?O and π···π interactions. Quantum chemical calculations of DCMSP have been performed at DFT/B3LYP/6-311++G (d,p) level of theory. The detailed assignment of each the vibrational mode was done on the basis of potential energy distribution (PED) by using the VEDA4 program and these results have been correlated with the experimental data. We calculated the linear and nonlinear optical properties of the title compound to understand the linear and nonlinear optical behavior in both static and dynamic fields using an iterative electrostatic embedding scheme and density functional theory (DFT) methods with standard and long-range corrected functionals. We also performed a study of the linear refractive index and nonlinear optical susceptibility χ(3) of the crystal as a function of frequency. An estimate of linear and nonlinear macroscopic quantities confirms their suitability for nonlinear optical devices such as optical limiting and optical switching. Investigation of local and global reactivity parameters of DCMSP was carried out by the calculation of molecular electrostatic potential (MEP), average local ionization energies (ALIE) surfaces and atomic Fukui indices in the gas phase. Stability in water and sensitivity towards autoxidation process has been investigated by radial distribution function (RDF) and bond dissociation energies (BDE) calculation after molecular dynamic simulations.
Phenotypic Identification of a Novel Autophagy Inhibitor Chemotype Targeting Lipid Kinase VPS34
Robke, Lucas,Laraia, Luca,Carnero Corrales, Marjorie A.,Konstantinidis, Georgios,Muroi, Makoto,Richters, André,Winzker, Michael,Engbring, Tobias,Tomassi, Stefano,Watanabe, Nobumoto,Osada, Hiroyuki,Rauh, Daniel,Waldmann, Herbert,Wu, Yao-Wen,Engel, Julian
, p. 8153 - 8157 (2017)
Autophagy is a critical regulator of cellular homeostasis and metabolism. Interference with this process is considered a new approach for the treatment of disease, in particular cancer and neurological disorders. Therefore, novel small-molecule autophagy modulators are in high demand. We describe the discovery of autophinib, a potent autophagy inhibitor with a novel chemotype. Autophinib was identified by means of a phenotypic assay monitoring the formation of autophagy-induced puncta, indicating accumulation of the lipidated cytosolic protein LC3 on the autophagosomal membrane. Target identification and validation revealed that autophinib inhibits autophagy induced by starvation or rapamycin by targeting the lipid kinase VPS34.
PIKFYVE KINASE INHIBITORS
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Page/Page column 140-141, (2021/08/20)
The present invention relates to compounds useful as inhibitors of phosphatidylinositol-3-phosphate 5-kinase (PIKfyve) as well as their use for treating diseases and disorders associated with PIKfyve.
TREATMENT OF VIRAL INFECTIONS WITH COMBINATION OF PIKFYVE KINASE INHIBITORS AND TMPRSS-2 INHIBITORS
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Paragraph 0176-0179, (2021/11/05)
The present invention relates to methods of treating viral infections including COVID-19 and compositions with a combination of (i) an inhibitor of phosphatidylinositol-3-phosphate 5-kinase (PIKfyve) and (ii) an inhibitor of transmembrane serine proteinase 2 (TMPRSS-2).
SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE
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Page/Page column 58; 69-70, (2020/06/10)
In its many embodiments, the present invention provides certain substituted amino triazolopyrimidine and amino triazolopyrazine compounds of Formula (IA) and Formula (IB): and, and pharmaceutically acceptable salts thereof, wherein, R1, n, R2, and R3 are as defined herein, pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other therapeutically active agents), and methods for their preparation and use, alone and in combination with other therapeutic agents, as antagonists of A2a and/or A2b receptors, and their use in the treatment of a variety of diseases, conditions, or disorders that are mediated, at least in part, by the adenosine A2a receptor and/or the adenosine A2b receptor.
A modular approach for the installation of functionalized phosphonates to heterocycles
Shultz, Zachary,Shan, Chuan,Wojtas, Lukasz,Lopchuk, Justin M.
, p. 73 - 96 (2021/04/09)
Phosphonic acids and esters are pervasive throughout the discovery sciences, from medicine and agriculture, to materials and asymmetric synthesis. The ability to install and construct molecular architecture containing phosphonic functionality has led to t
Switchable Synthesis of Aryl Sulfones and Sulfoxides through Solvent-Promoted Oxidation of Sulfides with O2/Air
Cheng, Zhen,Sun, Pengchao,Tang, Ailing,Jin, Weiwei,Liu, Chenjiang
supporting information, p. 8925 - 8929 (2019/11/14)
A practical and switchable method for the synthesis of aryl sulfones and sulfoxides via sulfide oxidation was developed. The chemoselectivities of products were simply controlled by reaction temperature using O2/air as the terminal oxidant and oxygen source. The broad substrate scope, easy realization of gram-scale production, and the simplification of a sulfide oxidation system render the strategy attractive and valuable.
PIKFYVE KINASE INHIBITORS
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Page/Page column 42; 43, (2019/03/17)
The present invention relates to compounds of formula (I) (shown below) useful as inhibitors of phosphatidylinositol- 3 -phosphate 5-kinase (PIKfyve) as well as their use for treating diseases and disorders associated with PIKfyve.
PYRIMIDINE DERIVATIVES AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS
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Page/Page column 21-22, (2019/06/11)
The present invention relates to novel TrkA inhibitors ofofmrula (1) which are useful in the treatment or prevention of acute and chronic pain but also for other abnormal activities of TrkA beyond pain therapy, such as inflammation and cancer.
Oxidative kinetic resolution of heterocyclic sulfoxides with a porphyrin-inspired manganese complex by hydrogen peroxide
Yang, Jinchuang,Wang, Lianyue,Lv, Ying,Li, Ning,An, Yue,Gao, Shuang
supporting information, p. 156 - 159 (2017/12/15)
We have successfully reported here the low loading porphyrin-inspired high-valent manganese (IV)-oxo complex was applied in oxidative kinetic resolution (OKR) of racemic heterocyclic sulfoxides using the environmentally benign hydrogen peroxide for the first time. This approach allows for rapid OKR (0.5 h) of a variety of racemic sulfoxides (including pyridine, pyrimidine, pyrazine, thiazole, benzothiazole, thiophene) in excellent enantioselectivity (up to > 99% ee), simultaneously generating the corresponding sulfones in high yield (up to 80%). The catalytic system also showed an unexceptionable chemoselectivity for the sulfoxide substrates with hydroxyl groups in which only the sulfoxide group was oxidized. The practical utility of the method has been demonstrated in the OKR of gram-scale sulfoxides.
