ML2006a4 | SARS-CoV-2 Mpro inhibitor | Probechem Biochemicals

Chemical Structure : ML2006a4

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ML2006a4 (ML-2006a4)

货号: PC-22009Not For Human Use, Lab Use Only.

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1 g		Get quote

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生物&药学活性

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.

物理化学性质&存储条件

分子量	627.71
分子式	C30H44F3N5O6
外观性状	Solid
CAS No.
储存条件	固体粉末 -20°C 12 个月; 4°C 6 个月	配置液 -80°C 6 个月; -20°C 6 个月
Shipping
Solubility	10 mM in DMSO
Chemical Name/SMILES	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)-

参考文献

1. Michael Westberg, et al. Sci Transl Med. 2024 Mar 13;16(738):eadi0979.

ML2006a4 (ML-2006a4)

生物&药学活性

物理化学性质&存储条件

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ML2006a4 (ML-2006a4)

生物&药学活性

物理化学性质&存储条件

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