MPro Inhibitor 11a
Modify Date: 2024-01-11 18:29:51
MPro Inhibitor 11a structure
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Common Name | MPro Inhibitor 11a | ||
|---|---|---|---|---|
| CAS Number | 2103278-86-8 | Molecular Weight | 452.546 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 836.8±55.0 °C at 760 mmHg | |
| Molecular Formula | C25H32N4O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 459.9±31.5 °C | |
Use of MPro Inhibitor 11aBofutrelvir (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 (HY-104077)[1][2]. |
| Name | MPro Inhibitor 11a |
|---|---|
| Synonym | More Synonyms |
| Description | 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 (HY-104077)[1][2]. |
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| Related Catalog | |
| Target |
IC50: 53 nM (Mpro)[1] |
| In Vitro | Bofutrelvir (24 h) shows in vitro activity against SARS-CoV-2 and its variants with EC50 values of 0.42, 0.39, 0.28, 0.27 and 0.26 μM for SARS-CoV-2, SARS-CoV-2 (Alpha), SARS-CoV-2 (Beta), SARS-CoV-2 (Delta) and SARS-CoV-2 (Omicron), respectively[2]. Bofutrelvir inhibits SARS-CoV-2 replication in vero E6 cells in the presence of human serum (1.1-2.4 μM) even at the dose of EC50 values[2]. Bofutrelvir exhibits an additive effect against SARS-CoV-2 in vitro when combined treatment with remdesivi[2]. |
| 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. |
| References |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 836.8±55.0 °C at 760 mmHg |
| Molecular Formula | C25H32N4O4 |
| Molecular Weight | 452.546 |
| Flash Point | 459.9±31.5 °C |
| Exact Mass | 452.242371 |
| LogP | 2.70 |
| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
| Index of Refraction | 1.592 |
| InChIKey | HPKJGHVHQWJOOT-ZJOUEHCJSA-N |
| SMILES | O=CC(CC1CCNC1=O)NC(=O)C(CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 |
| 1H-Indole-2-carboxamide, N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- |
| N-[(2S)-3-Cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-2-propanyl]-1H-indole-2-carboxamide |
| MPro Inhibitor 11a |