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303175-44-2

303175-44-2 Structure

303175-44-2 Structure
IdentificationBack Directory
[Name]

2-(2-CHLORO-4-IODOPHENYLAMINO)-3,4-DIFLUOROBENZOIC ACID
[CAS]

303175-44-2
[Synonyms]

2-(2-CHLORO-4-IODOPHENYLAMINO)-3,4-DIFLUOROBENZOIC ACID
3,4-difluoro-2-(2-chloro-4-iodophenylaMino)-benzoic acid
[Molecular Formula]

C13H7ClF2INO2
[MDL Number]

MFCD09840238
[MOL File]

303175-44-2.mol
[Molecular Weight]

409.554
Chemical PropertiesBack Directory
[Appearance]

Light-Brown Solid
[Melting point ]

230-231 °C
[Boiling point ]

401.5±45.0 °C(Predicted)
[density ]

1.946±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.25±0.36(Predicted)
[color ]

White to Brown
[InChI]

1S/C13H7ClF2INO2/c14-8-5-6(17)1-4-10(8)18-12-7(13(19)20)2-3-9(15)11(12)16/h1-5,18H,(H,19,20)
[InChIKey]

XCNBGWKQXRQKSA-UHFFFAOYSA-N
[SMILES]

O=C(C1=CC=C(C(F)=C1NC2=CC=C(C=C2Cl)I)F)O
Hazard InformationBack Directory
[Chemical Properties]

Light-Brown Solid
[Uses]

2-(2-Chloro-4-iodophenylamino)-3,4-difluorobenzoic Acid (cas# 303175-44-2) is a compound useful in organic synthesis.
[Biological Activity]

ATR-002a derivate of CI-1040is a cell penetrantpotent and specific inhibitor of the Raf/MEK/ERK pathway. ATR-002 exhibits strong anti-influenza and anti-SARS-CoV-2 activity. It impairs the influenzas and SARS-CoV-2 viruses induced expression of pro-inflammatory cytokines.
[in vivo]

Zapnometinib (8.4-75 mg/kg/day; three times a day p.o.) reduces the lung virus titers and enhances survival of mice after lethal H1N1pdm09 infection[1].
Zapnometinib (150 mg/kg) exhibits AUC values of 860.02 and 1953.68 μg h/mL in mice by i.v. or oral route, respectively[1].

Animal Model:Female C57BL/6 mice (8 weeks; 21-24 g) were infected with H1N1pdm09[1]
Dosage:8.4, 25, 75 mg/kg/day (2.8, 8.4, 25 mg/kg)
Administration:P.o. three times a day
Result:Significantly reduced the virus titer at the dose of either 75 mg/kg/day or 25 mg/kg/day.
[IC 50]

MEK: 5.7 nM (IC50)
[storage]

4°C, protect from light
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

2-(2-CHLORO-4-IODOPHENYLAMINO)-3,4-DIFLUOROBENZOIC ACID(303175-44-2)1HNMR
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