Art. -Nr.: HY-172437

Secutrelvir

(Synonyms: S-892216)

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Secutrelvir is an oral SARS-CoV-2 3C-like protease (3CLpro) inhibitor and antiviral agent, with IC₅₀ values of 0.655 nM and 0.697 nM against SARS-CoV-2 3CLpro, respectively. Secutrelvir forms a reversible covalent bond with the catalytic cysteine C145 of SARS-CoV-2 3CLpro, thereby inhibiting viral replication. Secutrelvir exhibits activity against multiple SARS-CoV-2 variants and can be used in research related to coronavirus disease 2019 (COVID-19).

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Reinheit: 99.64%
CAS. Nr.: 2996148-73-1
Formel: C₂₃H₁₆Cl₂F₃N₅O₂
Molecular Weight:522.31

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

Secutrelvir Chemical Structure

CAS. Nr.: 2996148-73-1

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Biologische Aktivität
- Beschreibung
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

In Vitro

Secutrelvir (S-892216) exhibits antiviral activity against multiple SARS-CoV-2 strains (including Omicron variants) in VeroE6/TMPRSS2 cells with an EC₅₀ range of 2.27 to 12.5 nmol/L^[1].
Secutrelvir (S-892216) exhibits antiviral activity against multiple SARS-CoV-2 strains (including Omicron variants) in hAECs with an EC₉₀ range of 2.31 to 2.41 nmol/L^[1].

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

Parmacokinetics

Species	Dose	Route	CL_total	T_1/2
Rat^[3]	500 μM/kg	i.v.	6.79 mL/min/kg	8.14 h
Dog^[3]	0.1 mg/kg	i.v.	2.52 mL/min/kg	24.9 h
Monkey^[3]	0.1 mg/kg	i.v.	11.4 mL/min/kg	7.02 h

In Vivo

S-892216 suppresses SARS-CoV-2-induced lung virus titer in intranasally infected Balb/c mice in a dose-dependent manner^[1].
Secutrelvir (0.1-10 mg/kg; p.o.; twice daily; 5 days) exhibits dose-dependent therapeutic efficacy against COVID-19 in SARS-CoV-2-infected Syrian hamsters, including up to 2.9-log reductions in lung virus titers and 2.3-log reductions in nasal turbinate virus titers at the 10 mg/kg dose, plus suppression of lung inflammation and body weight loss^[2].
S-892216 (0.1-10 mg/kg; p.o.; twice daily; 2 days) exhibits potent dose-dependent antiviral efficacy against SARS-CoV-2 Gamma strain in BALB/cAJcl mice, with maximum efficacy achieved at 3 mg/kg twice daily, and equivalent activity to ensitrelvir at a 32-fold lower dose^[3].

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

Animal Model:

Syrian hamsters (intranasally inoculated with SARS-CoV-2 Omicron BE.1/BA.5-like)^[2]
Dosage:

0.1 mg/kg; 1 mg/kg; 10 mg/kg
Administration:

p.o.; twice daily; 5 days
Result:

Reduced lung virus titer by 1.9-log and nasal turbinates virus titer by 1.8-log at 1 mg/kg, measured 3 days post-infection.\nReduced lung virus titer by 2.9-log and nasal turbinates virus titer by 2.3-log at 10 mg/kg, measured 3 days post-infection.\nSuppressed SARS-CoV-2-induced lung inflammation and body weight loss in a dose-dependent manner.

Animal Model:

BALB/cAJcl (female, 5 weeks of age, intranasally inoculated with SARS-CoV-2 Gamma strain)^[3]
Dosage:

0.1 mg/kg; 0.3 mg/kg; 1 mg/kg; 3 mg/kg; 10 mg/kg
Administration:

p.o.; twice daily; 2 days
Result:

Achieved statistically significant reduction in lung virus titers at 0.3 mg/kg.\nReached maximum efficacy at 3 mg/kg, with viral titers reduced to near the lower limit of quantification (LLOQ = 1.80 log10 TCID50/mL).\nAchieved viral titer reduction comparable to the ensitrelvir 32 mg/kg group at 1 mg/kg.

Chemical Information

CAS. Nr. 2996148-73-1
Appearance Solid
Molecular Weight 522.31
Formel C₂₃H₁₆Cl₂F₃N₅O₂
Color White to off-white
SMILES

N#CCN1C(N(C2=CC(Cl)=CN=C2)C(C(C3=CC(Cl)=C(F)C=C3)=C1N4CC5(CC(F)(C5)F)C4)=O)=O
Synonyms

S-892216
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (191.46 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

1.9146 mL

9.5729 mL

19.1457 mL

5 mM

0.3829 mL

1.9146 mL

3.8291 mL

10 mM

0.1915 mL

0.9573 mL

1.9146 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. 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 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (4.79 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 (278 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]. Nobori H, et al. In Vitro and in Vivo Antiviral Activity of S-892216, a Second-Generation Oral 3CLpro Inhibitor against SARS-CoV-2. Open Forum Infect Dis. 2025 Jan 29;12(Suppl 1):ofae631.1267.

[2]. Nakashima M, et al. P-2028. Therapeutic Effect of Delayed Treatment with a Second-Generation 3CL Protease Inhibitor S-892216 in Hamsters Infected with SARS-CoV-2. Open Forum Infect Dis. 2025 Jan 29;12(Suppl 1):ofae631.2184.

[3]. Unoh Y, et al. Discovery of the Clinical Candidate S-892216: A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19. J Med Chem. 2025;68(20):21099-21119. [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

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. 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	1.9146 mL	9.5729 mL	19.1457 mL	47.8643 mL
	5 mM	0.3829 mL	1.9146 mL	3.8291 mL	9.5729 mL
	10 mM	0.1915 mL	0.9573 mL	1.9146 mL	4.7864 mL
	15 mM	0.1276 mL	0.6382 mL	1.2764 mL	3.1910 mL
	20 mM	0.0957 mL	0.4786 mL	0.9573 mL	2.3932 mL
	25 mM	0.0766 mL	0.3829 mL	0.7658 mL	1.9146 mL
	30 mM	0.0638 mL	0.3191 mL	0.6382 mL	1.5955 mL
	40 mM	0.0479 mL	0.2393 mL	0.4786 mL	1.1966 mL
	50 mM	0.0383 mL	0.1915 mL	0.3829 mL	0.9573 mL
	60 mM	0.0319 mL	0.1595 mL	0.3191 mL	0.7977 mL
	80 mM	0.0239 mL	0.1197 mL	0.2393 mL	0.5983 mL
	100 mM	0.0191 mL	0.0957 mL	0.1915 mL	0.4786 mL

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Secutrelvir

Anti-Infection Compound Library

Antiviral Compound Library

Protease Inhibitor Library

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High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Secutrelvir

Anti-Infection Compound Library

Antiviral Compound Library

Protease Inhibitor Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Secutrelvir Related Classifications

HY-172437 Related Classifications