≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
JNJ4796 is an oral active fusion inhibitor of influenza virus , neutralizing influenza A group 1 viruses by inhibiting hemagglutinin (HA) -mediated fusion. JNJ4796 mimics the functionality of the broadly neutralizing antibodies (bnAbs)
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. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Oral administration of JNJ4796 protects mice from lethal challenge of 25 times the median lethal dose (LD 50 ) 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 (LD 90 ), with twice daily administration of 15 and 5 mg/kg of JNJ4796 giving rise to 100% survival . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female BALB/cAnNCrl mice intranasally infected with 2 × 25 μL of 25 × LD 50 or 1 × LD 90 of H1N1 A/Puerto Rico/8/34 dissolved in sterile phosphate buffered saline (D-PBS) Dosage: 50 and 10 mg/kg. Administration: Oral twice daily for 7 days. Result: Resulted in 100% survival at day 21 in comparison to the less potent compound JNJ8897.
Form:Solid
IC50& 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
| Sorrisos canónicos | 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 |
|---|---|
| IUPAC Name | N-[2-[2-[4-[(R)-(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]pyridin-4-yl]-1,3-benzoxazol-5-yl]acetamide |
| InChIKey | VMAAUIZLAZYALS-RUZDIDTESA-N |
| 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 |
| SMILES isoméricas | CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC=C3)C(=O)N4CCN(CC4)[C@H](C5=CC=CC=C5)C6=NN(N=N6)C |
| PubChem CID | 135302421 |
| Termos de entrada MeSH | JNJ4796 |
| Peso molecular | 537.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Benzoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazoles |
| Alternative Parents | Pyridinecarboxylic acids and derivatives N-acetylarylamines 2-heteroaryl carboxamides N-alkylpiperazines Aralkylamines Benzene and substituted derivatives Tetrazoles Tertiary carboxylic acid amides Oxazoles Heteroaromatic compounds Acetamides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acetylarylamine - Pyridine carboxylic acid or derivatives - Benzoxazole - 2-heteroaryl carboxamide - N-arylamide - Aralkylamine - N-alkylpiperazine - Benzenoid - Pyridine - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Tetrazole - Tertiary carboxylic acid amide - Oxazole - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilidade | DMSO : 100 mg/mL (186.02 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 537.600 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 537.224 Da |
| Monoisotopic Mass | 537.224 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 881.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
