YH-53
Based on 1 Customer Validation
YH-53 is a potent 3CLpro inhibitor with Ki values of 6.3 nM, 34.7 nM for SARS-CoV-1 3CLpro and SARS-CoV-2 3CLpro, respectively. YH-53 strongly blocks the SARS-CoV-2 replication. YH-53 is a peptidomimetic compound with a unique benzothiazolyl ketone. YH-53 has the potential for COVID-19 research.
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- Purity: 98.78%
- CAS No.: 1471484-62-4
- 화학식: C30H33N5O5S
- 분자량:575.68
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보관:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
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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용액&용해도
- 순도&문서
- References
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Help & FAQs
Biological Activity
Ki: 6.3 nM (SARS-CoV-1 3CLpro) and 34.7 nM (SARS-CoV-2 3CLpro)[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| Vero | CC50 |
>100 μM
Compound: YH-53
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Cytotoxicity against African green monkey Vero cells assessed as cell viability incubated for 24 hrs by MTT assay
Cytotoxicity against African green monkey Vero cells assessed as cell viability incubated for 24 hrs by MTT assay
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[PMID: 34313428] |
YH-53 (1-25 μM; for 24 h) efficiently reduces copies of total RNA with increased concentrations in VeroE6/TMPRSS2 cells[1].
YH-53 (1, 5, 10, 15, 20, 25 μM; for 48 h) with 10 μM completely blocks the viral proliferation against SARS-CoV-2 were examined by a cytopathic effect (CPE) assay in Vero cells[1].
YH-53 (10, 100 μM; for 24 h) has no cytotoxicity with a CC50 value of >100 μM in vero cells[1].
YH-53 (10 μM) moderately inhibits CYP1A2, CYP2D6, and CYP2C8 (26.6%, 38.0%, 66.4%, respectively). YH-53 has no inhibition on CYP2C9 and CYP3A4[1].
YH-53 inhibits SARS-CoV 3CLpro with an IC50 of 0.74 μM.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:VeroE6/TMPRSS2 cells
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Concentration:1, 5, 10, 15, 20, 25 μM
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Incubation Time:24 hours
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Result:Efficiently reduced copies of total RNA.
YH-53 (0.5 mg/kg; oral) has a T1/2 of 9.64 hours, an AUC0–∞ of 3.49 ng h/mL, a Cmax of 1.08 ng/mL in rats[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Rats[1]
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Dosage:0.1 mg/kg (Pharmacokinetic Analysis)
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Administration:IV
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Result:Had a T1/2 of 2.97 hours, an AUC0–∞ of 19.7 ng•h/mL, a Vd of 3.51 L/kg.
Chemical Information
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CAS No. 1471484-62-4
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Appearance Solid
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분자량 575.68
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화학식 C30H33N5O5S
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Color Light yellow to green yellow
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SMILES
COC1=C2C(NC(C(N[C@@H](CC(C)C)C(N[C@@H](C[C@H]3C(NCC3)=O)C(C4=NC5=CC=CC=C5S4)=O)=O)=O)=C2)=CC=C1
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
DMSO : 50 mg/mL (86.85 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. 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. 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: ≥ 2.08 mg/mL (3.61 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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: 2.08 mg/mL (3.61 mM); Suspended solution; Need ultrasonic
This protocol yields a suspended solution of 2.08 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 (20.8 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.
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.
순도&문서
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Data Sheet (279 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
[1]. Sho Konno, et al. 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents. J Med Chem. 2021 Jul27;acs.jmedchem.1c00665. [Content Brief]
[2]. Pillaiyar Thanigaimalai, et al. Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: design, synthesis, biological evaluation, and docking studies. Eur J Med Chem. 2013 Oct;68:372-84. [Content Brief]
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 | 1.7371 mL | 8.6854 mL | 17.3708 mL | 43.4269 mL |
| 5 mM | 0.3474 mL | 1.7371 mL | 3.4742 mL | 8.6854 mL | |
| 10 mM | 0.1737 mL | 0.8685 mL | 1.7371 mL | 4.3427 mL | |
| 15 mM | 0.1158 mL | 0.5790 mL | 1.1581 mL | 2.8951 mL | |
| 20 mM | 0.0869 mL | 0.4343 mL | 0.8685 mL | 2.1713 mL | |
| 25 mM | 0.0695 mL | 0.3474 mL | 0.6948 mL | 1.7371 mL | |
| 30 mM | 0.0579 mL | 0.2895 mL | 0.5790 mL | 1.4476 mL | |
| 40 mM | 0.0434 mL | 0.2171 mL | 0.4343 mL | 1.0857 mL | |
| 50 mM | 0.0347 mL | 0.1737 mL | 0.3474 mL | 0.8685 mL | |
| 60 mM | 0.0290 mL | 0.1448 mL | 0.2895 mL | 0.7238 mL | |
| 80 mM | 0.0217 mL | 0.1086 mL | 0.2171 mL | 0.5428 mL |
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