Bofutrelvir
Based on 1 Customer Validation
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).
For research use only. We do not sell to patients.
- Purity: 95.0%
- CAS No.: 2103278-86-8
- Formula: C25H32N4O4
- Molecular Weight:452.55
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Storage:
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
IC50: 53 nM (Mpro)[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| Huh-7 | CC50 |
>100 μM
Compound: 93
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Cytotoxicity against human Huh-7 cells assessed as reduction of cell viability
Cytotoxicity against human Huh-7 cells assessed as reduction of cell viability
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[PMID: 34798775] |
| L929 | CC50 |
>100 μM
Compound: 93
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Cytotoxicity against mouse L929 cells assessed as reduction of cell viability
Cytotoxicity against mouse L929 cells assessed as reduction of cell viability
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[PMID: 34798775] |
| Vero C1008 | CC50 |
>100 μM
Compound: 11a
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Cytotoxicity against African green monkey Vero E6 cells assessed as cell growth inhibition incubated for 24 hrs by CCK8 assay
Cytotoxicity against African green monkey Vero E6 cells assessed as cell growth inhibition incubated for 24 hrs by CCK8 assay
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[PMID: 32771797] |
| Vero C1008 | CC50 |
>100 μM
Compound: 21
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Cytotoxicity against African green monkey Vero E6 cells by CCK-8 assay
Cytotoxicity against African green monkey Vero E6 cells by CCK-8 assay
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[PMID: 33486200] |
| Vero C1008 | CC50 |
>100 μM
Compound: 93
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Cytotoxicity against African green monkey Vero E6 cells assessed as reduction of cell viability by CellTiterGlo assay
Cytotoxicity against African green monkey Vero E6 cells assessed as reduction of cell viability by CellTiterGlo assay
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[PMID: 34798775] |
| Vero C1008 | EC50 |
0.53 μM
Compound: 21
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Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as reduction in viral replication measured after 24 hrs by plaque-reduction assay
Antiviral activity against SARS-CoV-2 infected in Vero E6 cells assessed as reduction in viral replication measured after 24 hrs by plaque-reduction assay
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[PMID: 33486200] |
| Vero C1008 | EC50 |
0.53 μM
Compound: 72
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Antiviral activity against SARS CoV-2 nCoV-2019BetaCoV/Wuhan/WIV04/2019 infected in African green monkey Vero E6 cells by CCK8 assay
Antiviral activity against SARS CoV-2 nCoV-2019BetaCoV/Wuhan/WIV04/2019 infected in African green monkey Vero E6 cells by CCK8 assay
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[PMID: 37244162] |
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].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:K18-hACE2 mice with SARS-CoV-2 delta variant infection[2]
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Dosage:100 and 200 mg/kg
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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
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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.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 2103278-86-8
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Appearance Solid
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Molecular Weight 452.55
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Formula C25H32N4O4
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Color White to light yellow
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SMILES
O=C(C(N1)=CC2=C1C=CC=C2)N[C@@H](CC3CCCCC3)C(N[C@H](C=O)C[C@H]4C(NCC4)=O)=O
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Synonyms
FB2001
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Solvent & Solubility
DMSO : 100 mg/mL (220.97 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (5.52 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: 2.5 mg/mL (5.52 mM); Suspended solution; Need ultrasonic
This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (276 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.2097 mL | 11.0485 mL | 22.0970 mL | 55.2425 mL |
| 5 mM | 0.4419 mL | 2.2097 mL | 4.4194 mL | 11.0485 mL | |
| 10 mM | 0.2210 mL | 1.1049 mL | 2.2097 mL | 5.5243 mL | |
| 15 mM | 0.1473 mL | 0.7366 mL | 1.4731 mL | 3.6828 mL | |
| 20 mM | 0.1105 mL | 0.5524 mL | 1.1049 mL | 2.7621 mL | |
| 25 mM | 0.0884 mL | 0.4419 mL | 0.8839 mL | 2.2097 mL | |
| 30 mM | 0.0737 mL | 0.3683 mL | 0.7366 mL | 1.8414 mL | |
| 40 mM | 0.0552 mL | 0.2762 mL | 0.5524 mL | 1.3811 mL | |
| 50 mM | 0.0442 mL | 0.2210 mL | 0.4419 mL | 1.1049 mL | |
| 60 mM | 0.0368 mL | 0.1841 mL | 0.3683 mL | 0.9207 mL | |
| 80 mM | 0.0276 mL | 0.1381 mL | 0.2762 mL | 0.6905 mL | |
| 100 mM | 0.0221 mL | 0.1105 mL | 0.2210 mL | 0.5524 mL |
Bofutrelvir Related Classifications
HY-133894 Related Classifications
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