JNJ4796

Category	Influenza Virus
CAS	2241664-16-2
Description	JNJ4796 is an oral active influenza virus fusion inhibitor.

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Product Information

Synonyms	EZ7; JNJ-4796; JNJ 4796
IUPAC Name	N-[2-[2-[4-[(R)-(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]pyridin-4-yl]-1,3-benzoxazol-5-yl]acetamide
Molecular Weight	537.6
Molecular Formula	C28H27N9O3
Canonical SMILES	CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=NN(N=N6)C
InChI	InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1
InChIKey	VMAAUIZLAZYALS-RUZDIDTESA-N
Purity	98%
Density	1.44±0.1 g/cm3(Predicted)
Solubility	Soluble in DMSO
Appearance	White to light yellow (Solid)
Storage	Store at -20°C
Complexity	881
Exact Mass	537.22368576
In Vitro	Like bnAb CR6261, the mechanism of action of JNJ4796 is demonstrated to be based on inhibition of the pH-sensitive conformational change of HA that triggers fusion of the viral and endosomal membranes and release of the viral genome into the host cell.
In Vivo	Oral administration of JNJ4796 protects mice from lethal challenge of 25 times the median lethal dose (LD50) of H1N1 A/Puerto Rico/8/1934 virus. Doses of 50 and 10 mg/kg of JNJ4796 twice daily, initiated one day before challenge and continuing for 7 days, results in 100% survival at day 21 in comparison to the less potent compound JNJ8897 for which less than 50% survival is achieved. Oral doses of JNJ4796 results in dose-dependent efficacy after a sublethal viral challenge (LD90), with twice daily administration of 15 and 5 mg/kg of JNJ4796 giving rise to 100% survival.
Target	EC50: 12 nM (H1/Bris), 66 nM (H1/Cal), 38 nM (H1/NCa), 22 nM (H1/PR8), 13 nM (H1/SI06), 449 nM (H5/H97), 3.24 μM (H5/Viet). Hemagglutinin.
XLogP3-AA	2.6