| Identification | Back Directory | [Name]
1H-Indole-2-carboxamide, N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- | [CAS]
2103278-86-8 | [Synonyms]
Bofutrelvir
MPro Inhibitor 11a
1H-Indole-2-carboxamide, N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- | [Molecular Formula]
C25H32N4O4 | [MOL File]
2103278-86-8.mol | [Molecular Weight]
452.55 |
| Chemical Properties | Back Directory | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml | [form ]
A crystalline solid | [color ]
White to light yellow |
| Hazard Information | Back Directory | [Uses]
Bofutrelvir (FB2001) is a SARS-CoV-2 main protease Mpro inhibitor with an IC50 value of 53 nM and an EC50 value of 0.53 μM. Bofutrelvir exhibits potent antiviral efficacy against several current SARS-CoV-2 variants with EC50 values of 0.26-0.42 μM. Bofutrelvir has an additive antiviral effect when combined with Remdesivir.html" class="link-product" target="_blank">Remdesivir (HY-104077)[1][2]. | [Definition]
ChEBI: N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide is a secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM). It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is an indolecarboxamide, a member of pyrrolidin-2-ones, an aldehyde, a secondary carboxamide and an oligopeptide. | [Biological Activity]
Inhibitor 11a is a COVID-19 corona virus SARS-CoV-2 inhibitor th at covalently targets the main protease (Mpro; a.k.a. 3C-like protease or 3CLpro) substrate site Cys145 (IC50 = 53 nM; 10 min pre-incubation with 30 nM SARS-CoV-2 Mpro prior to the addition of 20 μM substrate). Inhibitor 11a effectively inhibits SARS-CoV-2 replication in Vero E6 cultures (IC50 = 0.53 μM 24 h post infection with MOI = 0.05; cytotoxicity CC50 >100 μM) with good pharmacokinetic properties in mice in vivo (5 mg/kg via i.p. or i.v.). | [in vivo]
Bofutrelvir (100 and 200 mg/kg; i.p. once daily on day 0 and twice daily on day 1, 2 and 3 for 4 consecutive days) effectively against SARS-CoV-2 delta variant infection in vivo[2]. | Animal Model: | K18-hACE2 mice with SARS-CoV-2 delta variant infection[2] | | Dosage: | 100 and 200 mg/kg | | Administration: |
Intraperitoneal injection; 100 and 200 mg/kg once daily on day 0 and twice daily on day 1, 2 and 3 for 4 consecutive days | | Result: | Showed a dose-dependent efficacy to virus titers of lung. Effectively reduces the lung viral loads. Dose-dependently showed antiviral activity against the SARS-CoV-2 Delta variant and significantly reduced viral load in mouse lung and brain.
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| [References]
[1] Ullrich S, Nitsche C. The SARS-CoV-2 main protease as drug target. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127377. DOI:10.1016/j.bmcl.2020.127377
[2] Shang W, et al. In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2. Antiviral Res. 2022 Dec;208:105450. DOI:10.1016/j.antiviral.2022.105450 |
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ChemeGen 中国
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18818260767 |
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https://www.chemegen.com |
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4008-099-669 |
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https://www.chemicalbook.com/ShowSupplierProductsList112975/0.htm |
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Merck KGaA
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