4985-92-6Relevant articles and documents
Methyl Scanning and Revised Binding Mode of 2-Pralidoxime, an Antidote for Nerve Agent Poisoning
Gambino, Adriana,Burnett, James C.,Koide, Kazunori
supporting information, p. 1893 - 1898 (2020/02/06)
Organophosphorus nerve agents (OPNAs) inhibit acetylcholinesterase (AChE) and, despite the Chemical Weapons Convention arms control treaty, continue to represent a threat to both military personnel and civilians. 2-Pralidoxime (2-PAM) is currently the only therapeutic countermeasure approved by the United States Food and Drug Administration for treating OPNA poisoning. However, 2-PAM is not centrally active due to its hydrophilicity and resulting poor blood-brain barrier permeability; hence, these deficiencies warrant the development of more hydrophobic analogs. Specifically, gaps exist in previously published structure activity relationship (SAR) studies for 2-PAM, thereby making it difficult to rationally design novel analogs that are concomitantly more permeable and more efficacious. In this study, we methodically performed a methyl scan on the core pyridinium of 2-PAM to identify ring positions that could tolerate both additional steric bulk and hydrophobicity. Subsequently, SAR-guided molecular docking was used to rationalize hydropathically feasible binding modes for 2-PAM and the reported derivatives. Overall, the data presented herein provide new insights that may facilitate the rational design of more efficacious 2-PAM analogs.
Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds
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Paragraph 0326; 0327, (2018/04/14)
Described are deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds of structural Formula (I), which are agonists of 5-hydroxytryptamine receptors. Also described are pharmaceutical compositions comprising the deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds, and methods of use thereof.
Confined Pyrolysis within Metal-Organic Frameworks to Form Uniform Ru3 Clusters for Efficient Oxidation of Alcohols
Ji, Shufang,Chen, Yuanjun,Fu, Qiang,Chen, Yifeng,Dong, Juncai,Chen, Wenxing,Li, Zhi,Wang, Yu,Gu, Lin,He, Wei,Chen, Chen,Peng, Qing,Huang, Yu,Duan, Xiangfeng,Wang, Dingsheng,Draxl, Claudia,Li, Yadong
supporting information, p. 9795 - 9798 (2017/08/02)
Here we report a novel approach to synthesize atomically dispersed uniform clusters via a cage-separated precursor preselection and pyrolysis strategy. To illustrate this strategy, well-defined Ru3(CO)12 was separated as a precursor by suitable molecular-scale cages of zeolitic imidazolate frameworks (ZIFs). After thermal treatment under confinement in the cages, uniform Ru3 clusters stabilized by nitrogen species (Ru3/CN) were obtained. Importantly, we found that Ru3/CN exhibits excellent catalytic activity (100% conversion), high chemoselectivity (100% for 2-aminobenzaldehyde), and significantly high turnover frequency (TOF) for oxidation of 2-aminobenzyl alcohol. The TOF of Ru3/CN (4320 h-1) is about 23 times higher than that of small-sized (ca. 2.5 nm) Ru particles (TOF = 184 h-1). This striking difference is attributed to a disparity in the interaction between Ru species and adsorbed reactants.