MDL-860

SIGMA/SML2139 - ≥98% (HPLC)

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

CAS Number: 78940-62-2
Empirical Formula (Hill Notation): C₁₃H₆Cl₂N₂O₃
Molecular Weight: 309.10
MDL Number: MFCD07832293
Linear Formula: C₁₃H₆Cl₂N₂O₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-SML2139-5MG	5 mg	$78.40 1/EA	Add To Favorites
45-SML2139-25MG	25 mg	$316.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
color	white to beige
form	powder
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
SMILES string	ClC1=CC=C(OC2=CC=C([N+]([O-])=O)C=C2C#N)C=C1Cl
solubility	DMSO: 2 mg/mL, clear
storage temp.	2-8°C

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).

Biochem/physiol Actions:

Phosphatidylinositol 4-kinase Beta (PI4KB) inhibitor with broad-spectrum antipicornavirus activity.

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 + H312
Precautionary statements	P280 - P301 + P312 + P330
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
Storage Temp.	2-8°C
UNSPSC	12352200

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