2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile

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2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile Basic information
Product Name:2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile
Synonyms:2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile;MDL-860;Benzonitrile, 2-(3,4-dichlorophenoxy)-5-nitro-;MDL-860 >=98% (HPLC)
CAS:78940-62-2
MF:C13H6Cl2N2O3
MW:309.1
EINECS:
Product Categories:
Mol File:78940-62-2.mol
2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile Structure
2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile Chemical Properties
storage temp. 2-8°C
solubility DMSO: 2mg/mL, clear
form powder
color white to beige
InChI1S/C13H6Cl2N2O3/c14-11-3-2-10(6-12(11)15)20-13-4-1-9(17(18)19)5-8(13)7-16/h1-6H
InChIKeyQAYKDRUKUZJJSO-UHFFFAOYSA-N
SMILESClC1=CC=C(OC2=CC=C([N+]([O-])=O)C=C2C#N)C=C1Cl
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Dermal
Acute Tox. 4 Oral
MSDS Information
2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile Usage And Synthesis
UsesMDL-860 is a broad-spectrum antipicornavirus compound that has low cytotoxicity toward human cells. MDL-860 can be used for the research of virus infection[1].
Biological ActivityMDL-860 is a 5-nitro-2-phenoxybenzonitrile th at exerts broad-spectrum antipicornaviral activity (MIC50 from 0.1-1.5 μg/mL in HeLa cultures) by acting as an irreversible inhibitor against host phosphatidylinositol-4 kinase beta (PI4KB; PtdIns 4-kinase beta; PI4Kbeta; NPIK; PI4K92) via covalent modification of Cys646 located at the bottom of a surface pocket apart from the PI4KB active site. MCL-860 (MIC50 from 0.1-1.5 μg/mL in HeLa cultures). A pleconaril/MDL-860/oxoglaucine consecutive alternating administration (CAA), but not simultaneous daily treatment, is reported to be effective against coxsackievirus B1 infection without the development of drug resistance in newborn mice (75 mg/kg MDL-860 via s.c. every third day on the day following pleconaril and prior to oxoglaucine).
References[1] Nikolova I, et al. Anti-enteroviral activity of new MDL-860 analogues: Synthesis, in vitro/in vivo studies and QSAR analysis. Bioorg Chem. 2019 Apr;85:487-497. DOI:10.1016/j.bioorg.2019.02.020
2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile Preparation Products And Raw materials
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