Chemical Structure : ML2006a4
CAS No.:
2943213-62-3
ML2006a4
(ML-2006a4)
Catalog No.: PC-22009Not For Human Use, Lab Use Only.
ML2006a4 is a highly potent, selective and orally bioavailable SARS-CoV-2 main protease (Mpro) inhibitor with IC50/Ki of 1.05/0.26 nM, shows antiviral EC50 value of 100-120 nM in Huh7.5.1-ACE2-TMPRSS2 cells.
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Purity & Documentation Purity:
>98% (HPLC)
Biological Activity
ML2006a4 is a highly potent, selective and orally bioavailable SARS-CoV-2 main protease (Mpro) inhibitor with IC50/Ki of 1.05/0.26 nM, shows antiviral EC50 value of 100-120 nM in Huh7.5.1-ACE2-TMPRSS2 cells.
displays minimal inhibition of Cat-B/K/L.
ML2006a4 remains potent activity against S144A Mpro mutation with Ki of 1.2 nM, as well as L50F E166A, E166A, and E166V, E166Q and A173V (Ki=1.4-28 nM).
ML2006a4 demonstrates 50% cytotoxicity concentrations (CC50) > 100 μM in cytotoxicity tests.
ML2006a4 + Ritonavir (RTV) combination (20 + 20 mg/kg) fully rescues SARS-CoV-2–infected mice, with minimal weight loss and no clinical abnormalities.
ML2006a4 exhibits improved mutation tolerance, ML2006a4 is less sensitive to Mpro mutations compared with NTV and have mutational sensitivity profiles distinct from ETV.
Physicochemical Properties
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M.Wt
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627.71
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Formula
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C30H44F3N5O6
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Appearance
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Solid
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CAS No.
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Storage
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- Solide Powder
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-20°C 12 Months; 4°C 6 Months
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- In Solvent
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-80°C 6 Months; -20°C 6 Months
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Shipping
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Solubility
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10 mM in DMSO
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Chemical Name/SMILES
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3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-3-(3,3-dimethyl-1-azetidinyl)-2,3-dioxo-1-[[(3S)-2-oxo-3-piperidinyl]methyl]propyl]-3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, (1R,2S,5S)-
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References
1. Michael Westberg, et al. Sci Transl Med. 2024 Mar 13;16(738):eadi0979.
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