| Identification | Back Directory | [Name]
L-Leucinamide, N-[(5-methyl-3-isoxazolyl)carbonyl]-L-al | [CAS]
884650-98-0 | [Synonyms]
MPro N3,MPro N-3
L-Leucinamide, N-[(5-methyl-3-isoxazolyl)carbonyl]-L-al
L-Leucinamide, N-[(5-methyl-3-isoxazolyl)carbonyl]-L-alanyl-L-valyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]-4-(phenylmethoxy)-2-buten-1-yl]- | [Molecular Formula]
C35H48N6O8 | [MOL File]
884650-98-0.mol | [Molecular Weight]
680.79 |
| Chemical Properties | Back Directory | [Boiling point ]
990.8±65.0 °C(Predicted) | [density ]
1.192±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO|34.04|50| | [form ]
Solid | [pka]
12.42±0.46(Predicted) | [color ]
Off-white to light yellow |
| Hazard Information | Back Directory | [Uses]
Mpro inhibitor N3 is a potent SARS-CoV-2 MPro inhibitor with an EC50 value of 16.77 μM. Mpro inhibitor N3 shows antiviral activities against HCoV-229E, FIPV, IBV and MHV-A59[1][2][3]. | [Definition]
ChEBI: N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide is a tripeptide resulting from the formal condensation of the carboxy group of N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valine with the amino group of benzyl (2E,4S)-4-(L-leucylamino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate. It is an inhibitor of the main protease of SARS-CoV-2. It has a role as an antiviral agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a tripeptide, a member of isoxazoles, a member of pyrrolidin-2-ones and a benzyl ester. | [in vivo]
Mpro inhibitor N3 (0-0.64 μM; 3, 6 h) shows antiviral activity against IBV in chicken , embryos[3]. | Animal Model: | Chicken embryos[3] | | Dosage: | 0-0.64 μM | | Administration: | 3, 6 h with 100-EID50 titer of IBV M41 virus | | Result: | Showed that N3 is able to penetrate cells to inhibit the replication of IBV viruses, probably at the beginning of infection, with the PD50 of 0.13 μmol for the 3-h group and 0.17 μmol for the 6-h group. |
| [storage]
Store at -20°C | [References]
[1] Jin Z, et al. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature. 2020 Jun;582(7811):289-293. DOI:10.1038/s41586-020-2223-y
[2] Yang H, et al. Design of wide-spectrum inhibitors targeting coronavirus main proteases. PLoS Biol. 2005 Oct;3(10):e324. DOI:10.1371/journal.pbio.0030324
[3] Xue X, et al. Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design. J Virol. 2008 Mar;82(5):2515-27. DOI:10.1128/JVI.02114-07 |
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