ALG-097558
Based on 1 Customer Validation
ALG-097558 is an orally active 3CLpro inhibitor. ALG-097558 demonstrates pan-coronavirus activity against various SARS-CoV-2 variants as well as other human coronaviruses (HCoVs) such as SARS-CoV-1, α-HCoV 229E, and β-HCoV OC43. ALG-097558 demonstrates potent inhibition with IC50s of 2 nM (SARS-CoV-2 3CLpro) and 6 nM (229E 3CLpro). ALG-097558 demonstrates antiviral activity in the SARS-CoV-2 hamster infection model. ALG-097558 can be used for the study of viral infections[1].
For research use only. We do not sell to patients.
- Purity: 98.18%
- CAS No.: 2892287-29-3
- Formula: C25H32ClF2N5O4
- Molecular Weight:540.00
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Storage: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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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
ALG-097558 (Compound 7) demonstrates potent inhibition with IC50s of 2 nM (SARS-CoV-2 3CLpro) and 6 nM (229E 3CLpro)[1]. ALG-097558 displays potent pan-coronavirus antiviral activity by strong inhibition of both the human β-CoV OC43 (EC50 = 8 nM), SARS-CoV-1 (EC50 = 22 nM) and B.1.1.7 AS49D (EC50 = 11 nM)[1]. ALG-097558 inhibits the 3CLpro activity of the β MERS-CoV (IC50 = 59 nM), hCoV OC43 (IC50 = 0.6 nM), α CoV 229E (IC50 = 2.8 nM), and γ Beluga whale CoV (IC50 = 1 nM)[1]. ALG-097558 (0-1 μM, 4 days) inhibits SARS-CoV-2 B.1.1.7 replication in primary human bronchial airway epithelial cells (HAEC) in an air-liquid interface culture[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:Primary human bronchial airway epithelial cells
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Concentration:0-1 μM
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Incubation Time:4 days
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Result:Inhibited SARS-CoV-2 replication with mean EC90, EC99, and EC99.9 values of 24, 36, and 43 nM respectively.
| Species | Dose | Route | AUC0-inf | T1/2 | CL | Vss | Tmax | Cmax | F |
|---|---|---|---|---|---|---|---|---|---|
| Cynomolgus Monkey[1] | 1 mg/kg | i.v. | 612 ng·h/mL | 0.415 h | 27.6 mL/min/kg | 0.712 L/kg | / | / | / |
| Cynomolgus Monkey[1] | 5 mg/kg | p.o. | 495 ng·h/mL | 1.76 h | / | / | 1 h | 281 ng/mL | 5.40 % |
| Dog[1] | 1 mg/kg | i.v. | 3854 ng·h/mL | 1.67 h | 4.33 mL/min/kg | 0.434 L/kg | / | / | / |
| Dog[1] | 5 mg/kg | p.o. | 11199 ng·h/mL | 2.83 h | / | / | 0.5 h | 4517 ng/mL | 58.1 % |
| Rat[1] | 10 mg/kg | p.o. | 635 ng·h/mL | 2.34 h | / | / | 0.5 h | 163 ng/mL | 19.2 % |
| Rat[1] | 2 mg/kg | i.v. | 660 ng·h/mL | 0.48 h | 50.7 mL/min/kg | 1.23 L/kg | / | / | / |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:SARS-CoV-2 infected hamsters[1]
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Dosage:25, 50, 100, 150 mg/kg with Ritonavir (50 mg/kg) prophylactically (just before infection) or 2.5, 25, and 75 mg/kg with Ritonavir at 8 and 24 h postinfection (pi)
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Administration:p.o. twice a day for 3 days
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Result:Reduced lung infectious viral titer by more than four log10 TCID50/mg lung tissue when using a prophylactic dosing regimen. Reduced the infectious virus loads in the lungs below or near the lower limit of quantification (10 TCID50mg lung tissue) in most animals when administered therapeutically starting from 8 h pi. Reduced the infectious virus at doses of 25 and 75 mg/kg BID when administered therapeutically starting from 24 h pi.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 2892287-29-3
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Appearance Solid
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Molecular Weight 540.00
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Formula C25H32ClF2N5O4
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Color White to off-white
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SMILES
[H][C@@]12[C@@H]3C=C[C@H]([C@@]1([C@H](N(C2)C([C@H](C(C)(C)C)NC(C(F)(Cl)F)=O)=O)C(N[C@@H](C[C@@H]4CCNC4=O)C#N)=O)[H])C3
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (185.19 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: ≥ 2.5 mg/mL (4.63 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 (4.63 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.
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.
Purity & Documentation
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Data Sheet (281 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. 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 | 1.8519 mL | 9.2593 mL | 18.5185 mL | 46.2963 mL |
| 5 mM | 0.3704 mL | 1.8519 mL | 3.7037 mL | 9.2593 mL | |
| 10 mM | 0.1852 mL | 0.9259 mL | 1.8519 mL | 4.6296 mL | |
| 15 mM | 0.1235 mL | 0.6173 mL | 1.2346 mL | 3.0864 mL | |
| 20 mM | 0.0926 mL | 0.4630 mL | 0.9259 mL | 2.3148 mL | |
| 25 mM | 0.0741 mL | 0.3704 mL | 0.7407 mL | 1.8519 mL | |
| 30 mM | 0.0617 mL | 0.3086 mL | 0.6173 mL | 1.5432 mL | |
| 40 mM | 0.0463 mL | 0.2315 mL | 0.4630 mL | 1.1574 mL | |
| 50 mM | 0.0370 mL | 0.1852 mL | 0.3704 mL | 0.9259 mL | |
| 60 mM | 0.0309 mL | 0.1543 mL | 0.3086 mL | 0.7716 mL | |
| 80 mM | 0.0231 mL | 0.1157 mL | 0.2315 mL | 0.5787 mL | |
| 100 mM | 0.0185 mL | 0.0926 mL | 0.1852 mL | 0.4630 mL |
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