SML2139

MDL-860

≥98% (HPLC)

• Synonym(s): 2-(3,4-Dichlorophenoxy)-5-nitrobenzonitrile
• Empirical Formula (Hill Notation): C₁₃H₆Cl₂N₂O₃
• CAS Number: 78940-62-2
• Molecular Weight: 309.10
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD07832293
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• 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

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H302 + H312
• Precautionary Statements: P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501
• 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