Influenza A virus-IN-1

Category	Influenza Virus
CAS	2250313-14-3
Description	Influenza A virus-IN-1, a dihydropyrrolidone derivative, is a potent inhibitor against wide subtypes of influenza A virus (IAV) with IC50s of 3.11-7.13 μM. It effectively inhibits the replication of IAV and up-regulates the expression of key antiviral cytokines IFN-β and antiviral protein MxA.

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Synonyms	1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-5-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]amino]-, ethyl ester
IUPAC Name	ethyl 5-oxo-2-phenyl-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxylate
Molecular Weight	534.45
Molecular Formula	C27H20F6N2O3
Canonical SMILES	CCOC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)NC4=CC=C(C=C4)C(F)(F)F
InChI	InChI=1S/C27H20F6N2O3/c1-2-38-25(37)21-22(34-19-12-8-17(9-13-19)26(28,29)30)24(36)35(23(21)16-6-4-3-5-7-16)20-14-10-18(11-15-20)27(31,32)33/h3-15,23,34H,2H2,1H3
InChIKey	IRTZGBURXBOHPW-UHFFFAOYSA-N
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	880
Exact Mass	534.13781148
In Vitro	Influenza virus-IN-1 (compound 5-2; 5-40μM; 24 hours; MDCK cells) treatment significantly reduced the yield of influenza virus NP in a dose-dependent manner. The expression level of NP protein is also inhibited by dose-dependence. Influenza A virus-IN-1 (compound 5-2) treatment reduces influenza HA mRNA expression at all three time points. Influenza virus-IN-1 (compound 5-2) potently inhibits IAV replication and inhibits MDCK cells from producing NDAPH oxidase NOX1.
Target	IC50: 3.11 μM (A/Puerto Rico/8/34 (H1N1)), 3.58 μM (A/FM-1/1/47 (H1N1)), 5.26 μM (A/Aichi/2/68 (H3N2)), 6.48 μM (A/PR/8/34 (H1N1) with NA-H274Y) and 7.13 μM (The influenza A virus 690 (H3))
XLogP3-AA	7.1