2. Anti-infection
  3. Virus Protease SARS-CoV
  4. Jun12682

Jun12682 is an orally active SARS-CoV-2 papain-like protease (PLpro) inhibitor, with a Ki value of 37.7 nM and an EC50 value of 1.1 μM in the FlipGFP PLpro assay. Jun12682 has efficacy in hindering PLpro both deubiquitination and deISGylation, with Ki values of 63.5 and 38.5 nM, respectively. Jun12682 exhibits resistance in multiple PLpro mutant strains, and its enzymatic activity is comparable to that of the wild-type. Jun12682 can be used for the study of the SARS-CoV-2.

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Jun12682

Jun12682 Chemical Structure

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Based on 1 publication(s) in Google Scholar

Jun12682 Related Antibodies

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Description

Jun12682 is an orally active SARS-CoV-2 papain-like protease (PLpro) inhibitor, with a Ki value of 37.7 nM and an EC50 value of 1.1 μM in the FlipGFP PLpro assay. Jun12682 has efficacy in hindering PLpro both deubiquitination and deISGylation, with Ki values of 63.5 and 38.5 nM, respectively. Jun12682 exhibits resistance in multiple PLpro mutant strains, and its enzymatic activity is comparable to that of the wild-type. Jun12682 can be used for the study of the SARS-CoV-2[1][2][3].

In Vitro

Jun12682 inhibits the replication of the SARS-CoV-2 virus, with EC50 values of 0.42 and 0.51 μM in the icSARS-CoV-2-nLuc reporter virus and plaque assays, respectively[1].
Jun12682 is highly stable in the human microsomes (T1/2 = 131.9 min, CLint (mic) = 10.5 μL/min/mg)[1].
Jun12682 shows consistent antiviral activity against SARS-CoV-2 delta and omicron variants and Nirmatrelvir (HY-138687)-resistant strains (rNsp5-S144M, rNsp5-L50F/E166V and rNsp5-L50F/E166A/L167F) in Caco-2 cells (EC50: 0.44-2.02 μM)[1][2].
Jun12682 has no inhibitory activity on the related human proteases USP7 and USP14 and cytochrome P450 (CYP450) enzymes, including CYP1A2, 2C9, 2C19, 2D6 and 3A-M (IC50 > 50.0 mM)[1][2].

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

Jun12682 Related Antibodies
Parmacokinetics[1]
Species Dose Route Indicator value
Rat 10 mg/kg i.v. ClF_obs 26.8 mL/min/kg
Rat 50 mg/kg p.o. T1/2 2.01 h
Rat 10 mg/kg i.v. T1/2 2.76 h
Rat 50 mg/kg p.o. Tmax 1.67 h
Rat 10 mg/kg i.v. AUClast 6247 ng/mL
Rat 50 mg/kg p.o. Cmax 4537 ng/mL
Rat 10 mg/kg i.v. AUCinf 6245 ng·h/mL
Rat 50 mg/kg p.o. AUClast 22755 ng·h/mL
Rat 10 mg/kg i.v. MRTINF_obs 1.76 ng·h/mL
Rat 50 mg/kg p.o. AUCinf 22762 ng·h/mL
Rat 10 mg/kg i.v. Vss 2.78 L/kg
Rat 50 mg/kg p.o. MRTINF_obs 4.10 h
Rat 50 mg/kg p.o. F 72.8 %
In Vivo

Jun12682 (125-500 mg/kg, p.o., twice daily for 3-5 days) significantly improves survival and reduced lung viral loads and lesions in a SARS-CoV-2 infection mouse model[1].

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

Animal Model: lethal SARS-CoV-2 model established in young BALB/c mice (9 to 12 weeks old)[1]
Dosage: 125 and 250 mg/kg for 3 days and 500 mg/kg for 5 days
Administration: Oral administration (p.o.), twice daily for 3 or 5 days
Result: Exhibited reduced weight loss, resulting in a significantly improved survival rate and the three-day treatment of 250 mg/kg dose conferred even better protection.
Had statistically lower lung viral titers and considerably decreased viral antigen staining levels with a few sporadic positive cells.
Significantly reduced the viral N gene level and the expression of multiple inflammatory cytokines, including IFN-β, IL-1β, IL-6, and CXCL10 (36).
Molecular Weight

500.64

Formula

C29H36N6O2
Appearance

Solid

Color

White to off-white

SMILES

CC1=CC=C(C=C1C(N[C@@H](C2=CC(C3=CN(C)N=C3)=CC(C4=NN(CC)C=C4)=C2)C)=O)OCCN(C)C
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (199.74 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.9974 mL 9.9872 mL 19.9744 mL
5 mM 0.3995 mL 1.9974 mL 3.9949 mL
View the 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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

  • Molarity Calculator

  • Dilution Calculator

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

Mass
=
Concentration
×
Volume
×
Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

In Vivo:

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.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: ≥ 2.5 mg/mL (4.99 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.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in Saline)

    Solubility: ≥ 2.5 mg/mL (4.99 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 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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
% 
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).
The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
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
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. 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 1.9974 mL 9.9872 mL 19.9744 mL 49.9361 mL
5 mM 0.3995 mL 1.9974 mL 3.9949 mL 9.9872 mL
10 mM 0.1997 mL 0.9987 mL 1.9974 mL 4.9936 mL
15 mM 0.1332 mL 0.6658 mL 1.3316 mL 3.3291 mL
20 mM 0.0999 mL 0.4994 mL 0.9987 mL 2.4968 mL
25 mM 0.0799 mL 0.3995 mL 0.7990 mL 1.9974 mL
30 mM 0.0666 mL 0.3329 mL 0.6658 mL 1.6645 mL
40 mM 0.0499 mL 0.2497 mL 0.4994 mL 1.2484 mL
50 mM 0.0399 mL 0.1997 mL 0.3995 mL 0.9987 mL
60 mM 0.0333 mL 0.1665 mL 0.3329 mL 0.8323 mL
80 mM 0.0250 mL 0.1248 mL 0.2497 mL 0.6242 mL
100 mM 0.0200 mL 0.0999 mL 0.1997 mL 0.4994 mL
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Jun12682 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Jun12682Jun 12682Jun-12682Virus ProteaseSARS-CoVSARS coronavirusSARS-CoV-2Papain-like proteaseBroad-spectrumAnti-drug resistanceDrug candidateInhibitorinhibitorinhibit

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