cas 35370-92-4, 2-(4-METHOXYPHENOXY)ETHANETHIOAMIDE | Articles data ｜lookchem

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35370-92-4

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Design, synthesis, biological evaluation and molecular modeling of N-isobutyl-N-((2-(p-tolyloxymethyl)thiazol-4yl)methyl)benzo[d][1,3] dioxole-5-carboxamides as selective butyrylcholinesterase inhibitors
Butyrylcholinesterase (BuChE) is recently regarded as a biomarker in progressed Alzheimer's disease (AD). Development of selective BuChE inhibitors has attracted a great deal of interest and may be a viable therapeutic strategy for AD. Recently, we reported the N-isobutyl-N-((2-(p-tolyloxymethyl)thiazol-4-yl)methyl)benzo[d][1,3]dioxole-5-carboxamide (1) as a selective BuChE inhibitor. Subsequently, 33 analogs were synthesized and assessed by AChE/BuChE activities, indicating an optimal compound 23. Further kinetic tests suggested a competitive manner. Molecular docking and Molecular dynamics (MD) simulation showed that it interacted with several residues in active site gorge of BuChE, possibly contributing to its selectivity and competitive pattern. Moreover, it showed low cytotoxicity and high blood brain barrier (BBB) permeability. Taken together, 23 was a promising BuChE inhibitor for the treatment of AD.
Du, Chenxi,Du, Kui,Feng, Chengjie,Lv, Weiping,Shen, Runpu,Sun, Haopeng,Xi, Meiyang
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(2022/02/14)

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Chemical Properties

Melting Point: 113 °C
Boiling Point: 351°C at 760 mmHg
Flash Point:166.1°C
Density: 1.213g/cm³
Vapor Pressure: 4.23E-05mmHg at 25°C
PSA: 76.57000
LogP: 2.06040

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