zapnometinib

Category	Influenza Virus
CAS	303175-44-2
Description	zapnometinib is an ATP non-competitive MEK1/2 inhibitor that can treat respiratory viral infections by inhibiting MEK.

Quotation Now

Synonyms	Benzoic acid, 2-[(2-chloro-4-iodophenyl)amino]-3,4-difluoro-; ATR 002; PD 0184264
IUPAC Name	2-(2-chloro-4-iodoanilino)-3,4-difluorobenzoic acid
Molecular Weight	409.55
Molecular Formula	C13H7ClF2INO2
Canonical SMILES	C1=CC(=C(C=C1I)Cl)NC2=C(C=CC(=C2F)F)C(=O)O
InChI	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
Boiling Point	401.5±45.0 °C(Predicted)
Melting Point	230-231 °C
Purity	99.63%
Density	1.946±0.06 g/cm3(Predicted)
Solubility	In vitro: 10 mM in DMSO
Appearance	Light-Brown Solid
Storage	4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Complexity	363
Exact Mass	408.91781
In Vitro	Zapnometinib (0.1 nM-1 μM) inhibits MEK, with IC50s of 30.96 nM, 357 nM, and 15 nM in cell free kinase assay, A549, MDCK cells and human PBMCs. Zapnometinib (100 μM; 4 h) inhibits the Ionomycin (PMA/I)-induced phosphorylation of ERK1/2 in human PBMCs. Zapnometinib (1-100 μM) reduces the viral titers of the IV H1N1pdm09, H3N2.
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. 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.
PSA	49.33000
Target	MEK 5.7 nM (IC50)
XLogP3-AA	5