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SML2139

MDL-860

≥98% (HPLC)

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C13H6Cl2N2O3
CAS Number:
78940-62-2
Molecular Weight:
309.10
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD07832293
eCl@ss:
32160703
Assay:
≥98% (HPLC)
Form:
powder
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assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

ClC1=CC=C(OC2=CC=C([N+]([O-])=O)C=C2C#N)C=C1Cl

InChI

1S/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

InChI key

QAYKDRUKUZJJSO-UHFFFAOYSA-N

Biochem/physiol Actions

MDL-860 is a 5-nitro-2-phenoxybenzonitrile that 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).
Phosphatidylinositol 4-kinase Beta (PI4KB) inhibitor with broad-spectrum antipicornavirus activity.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H302 + H312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Deleterious substance

pdsc

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