ML303

Category	Influenza Virus
CAS	1638211-04-7
Description	ML303 is an antagonist of pyrazolopyridine influenza virus nonstructural protein 1 (NS1).

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Synonyms	ML-303; ML 303
IUPAC Name	2-methoxy-4-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]phenol
Molecular Weight	399.4
Molecular Formula	C21H16F3N3O2
Canonical SMILES	CC1=NN(C2=NC=CC(=C12)C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)C(F)(F)F
InChI	InChI=1S/C21H16F3N3O2/c1-12-19-16(13-3-8-17(28)18(11-13)29-2)9-10-25-20(19)27(26-12)15-6-4-14(5-7-15)21(22,23)24/h3-11,28H,1-2H3
InChIKey	YBRHGNCGFMRGSV-UHFFFAOYSA-N
Purity	98% by HPLC
Solubility	In vitro: 10 mM in DMSO
Appearance	White to Off-white Solid
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	556
Exact Mass	399.11946125
In Vitro	ML303 (20 μM, 6 h) treatment restore IFN-β mRNA levels in MDCK cells. Western Blot Analysis Cell Line: MDCK cells infected with A/PR/8/34, at a MOI of 2, for 6 hours Concentration: 20 μM Incubation Time: 6 hours Result: Restored IFN-β mRNA levels in MDCK cells
In Vivo	ML303 (20 μM, 6 h) treatment restore IFN-β mRNA levels in MDCK cells.
Target	Influenza Virus
XLogP3-AA	5