83753-56-4Relevant academic research and scientific papers
Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination
Yao, Qi-Jun,Xie, Pei-Pei,Wu, Yong-Jie,Feng, Ya-Lan,Teng, Ming-Ya,Hong, Xin,Shi, Bing-Feng
supporting information, p. 18266 - 18276 (2020/11/02)
Atropisomeric anilides have received tremendous attention as a novel class of chiral compounds possessing restricted rotation around an N-aryl chiral axis. However, in sharp contrast to the well-studied synthesis of biaryl atropisomers, the catalytic asym
Visible-Light-Mediated Nickel(II)-Catalyzed C-N Cross-Coupling in Water: Green and Regioselective Access for the Synthesis of Pyrazole-Containing Compounds
You, Guirong,Wang, Kai,Wang, Xiaodan,Wang, Guodong,Sun, Jian,Duan, Guiyun,Xia, Chengcai
supporting information, p. 4005 - 4009 (2018/07/22)
A regioselective green approach for the nickel(II)-catalyzed C-N cross-coupling between arylamines and pyrazoles through a photoredox process is reported. Moderate to good yield was observed for this reaction, performed in water under air at room temperature. This strategy provides a powerful tool for the green synthesis of pyrazole-containing bioactive molecules. In addition, a single-electron-transfer mechanism is proposed in this report.
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions
Cruciani, Gabriele,Milani, Nicolò,Benedetti, Paolo,Lepri, Susan,Cesarini, Lucia,Baroni, Massimo,Spyrakis, Francesca,Tortorella, Sara,Mosconi, Edoardo,Goracci, Laura
, p. 360 - 371 (2018/02/10)
Aldehyde oxidase (AOX) is a molibdo-flavoenzyme that has raised great interest in recent years, since its contribution in xenobiotic metabolism has not always been identified before clinical trials, with consequent negative effects on the fate of new potential drugs. The fundamental role of AOX in metabolizing xenobiotics is also due to the attempt of medicinal chemists to stabilize candidates toward cytochrome P450 activity, which increases the risk for new compounds to be susceptible to AOX nucleophile attack. Therefore, novel strategies to predict the potential liability of new entities toward the AOX enzyme are urgently needed to increase effectiveness, reduce costs, and prioritize experimental studies. In the present work, we present the most up-to-date computational method to predict liability toward human AOX (hAOX), for applications in drug design and pharmacokinetic optimization. The method was developed using a large data set of homogeneous experimental data, which is also disclosed as Supporting Information.
TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS
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Page/Page column 70-71, (2018/07/29)
The present invention relates to compounds of formula (I'), tautomers, stereoisomers, and pharmaceutically acceptable salts thereof, to processes for their preparation, to pharmaceutical formulations containing such compounds and to their use in therapy (I') (wherein: Z represents an optionally substituted, 5- or 6-membered unsaturated heterocyclic group comprising at least one nitrogen atom; L represents a 4-, 5- or 6-membered cycloalkyl group, preferably a cyclobutyl group; each R1 independently represents F, CI, Br, I, C1-3 alkyl, C1-3 haloalkyl (e.g. -CF3), -CN, -OH or -NO2, preferably F, CI, Br or 1, e.g. CI or F; each R2independently represents F, CI, Br, I, C1-3 alkyl, -CN, -OH or -NO2, preferably F, CI, Br, I or -CN, e.g. F or -CN; X represents -NR3- or -0-; R3 represents H or a C1-3 alkyl group (e.g. methyl); n is an integer from 0 to 5, preferably 0 to 3, more preferably 0, 1 or 2, e.g 1; and m is an integer from 0 to 5, preferably 0 to 3, more preferably 0, 1 or 2, e.g. 0 or 1). These compounds find particular use in the treatment and/or prevention of conditions or diseases which are affected by over-activation of signaling in the WNT pathway and increased presence of nuclear β-catenin. For example, these may be used in preventing and/or retarding proliferation of tumor cells and metastasis, for example carcinomas such as colon carcinomas.
Copper-catalyzed ortho-halogenation of protected anilines
Urones, Beatriz,Martinez, Angel Manu,Rodriguez, Nuria,Arrayas, Ramon Gomez,Carretero, Juan C.
supporting information, p. 11044 - 11046 (2013/11/19)
A practical Cu-catalyzed direct ortho-halogenation of anilines under aerobic conditions has been developed. The reaction shows typically excellent mono-substitution selectivity, high ortho-regiocontrol and large functional group tolerance.
Highly efficient epoxidation of cyclic alkenes catalyzed by ruthenium complex
Qi, Jian Ying,Qiu, Li Qin,Lam, Kim Hung,Yip, Chiu Wing,Zhou, Zhong Yuan,Chan, Albert S. C.
, p. 1058 - 1059 (2007/10/03)
The epoxidation of cyclic alkenes with molecular oxygen was efficiently completed in excellent epoxide yield using a novel ruthenium complex as catalyst under mild reaction conditions.
