Art. -Nr.: HY-133894

Bofutrelvir

(Synonyms: FB2001)

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Bofutrelvir (FB2001) is a SARS-CoV-2 main protease M^pro 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).

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Reinheit: 95.0%
CAS. Nr.: 2103278-86-8
Formel: C₂₅H₃₂N₄O₄
Molecular Weight:452.55

Speicherung:

-20°C, protect from light, stored under nitrogen

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)

Bofutrelvir Chemical Structure

CAS. Nr.: 2103278-86-8

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

IC50: 53 nM (Mpro)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
Huh-7	CC₅₀	>100 μM Compound: 93	Cytotoxicity against human Huh-7 cells assessed as reduction of cell viability Cytotoxicity against human Huh-7 cells assessed as reduction of cell viability	[PMID: 34798775]
L929	CC₅₀	>100 μM Compound: 93	Cytotoxicity against mouse L929 cells assessed as reduction of cell viability Cytotoxicity against mouse L929 cells assessed as reduction of cell viability	[PMID: 34798775]
Vero C1008	CC₅₀	>100 μM Compound: 11a	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	[PMID: 32771797]
Vero C1008	CC₅₀	>100 μM Compound: 21	Cytotoxicity against African green monkey Vero E6 cells by CCK-8 assay Cytotoxicity against African green monkey Vero E6 cells by CCK-8 assay	[PMID: 33486200]
Vero C1008	CC₅₀	>100 μM Compound: 93	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	[PMID: 34798775]
Vero C1008	EC₅₀	0.53 μM Compound: 21	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	[PMID: 33486200]
Vero C1008	EC₅₀	0.53 μM Compound: 72	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	[PMID: 37244162]

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS. Nr. 2103278-86-8
Appearance Solid
Molecular Weight 452.55
Formel C₂₅H₃₂N₄O₄
Color White to light yellow
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
Synonyms

FB2001
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

-20°C, protect from light, stored under nitrogen

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)

Lösungsmittel & Löslichkeit

In Vitro:

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)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.2097 mL

11.0485 mL

22.0970 mL

5 mM

0.4419 mL

2.2097 mL

4.4194 mL

10 mM

0.2210 mL

1.1049 mL

2.2097 mL

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.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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.

Protocol 1

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.

Protocol 2

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.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (5.52 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (276 KB)
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)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Ullrich S, Nitsche C. The SARS-CoV-2 main protease as drug target. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127377. [Content Brief]

[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. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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

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Bofutrelvir

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Bofutrelvir

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Bofutrelvir Related Classifications

HY-133894 Related Classifications