| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| 10mg | |||
| Other Sizes |
| Targets |
SARS-CoV-IN-1 targets the SARS-CoV main protease (Mpro, also known as 3CLpro), which is essential for viral replication. As a hydroxyferroquine derivative, it also exhibits antiplasmodial activity by targeting heme detoxification in Plasmodium falciparum. The compound acts by inhibiting the protease activity of Mpro, preventing the cleavage of viral polyproteins into functional units and thereby blocking viral replication.
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| ln Vitro |
In vitro, SARS-CoV-IN-1 (compound 2) inhibits Plasmodium falciparum development significantly more effectively than chloroquine (CQ) [1].
In vitro, SARS-CoV-IN-1 shows anti-coronavirus activity with an EC50 of 4.9 microM in Vero cells. It inhibits the 3D7 and W2 strains of P. falciparum with IC50 values of 15.4 nM and 133.2 nM, respectively, and IC90 values of 25.7 nM and 459.1 nM, respectively. It is significantly more effective than chloroquine at preventing P. falciparum growth and possesses both antimalarial and antiviral effects. |
| ln Vivo |
No specific in vivo activity data is available for SARS-CoV-IN-1 in animal models. The compound is primarily studied in cell-based in vitro systems for antiviral and antiplasmodial activity.
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| Enzyme Assay |
For protease inhibition assays: Use purified recombinant SARS-CoV main protease (Mpro). Incubate Mpro (50-100 nM) with varying concentrations of SARS-CoV-IN-1 (0.1-100 uM) in assay buffer (50 mM Tris-HCl, pH 7.3, 1 mM EDTA, 1 mM DTT). Add a fluorogenic peptide substrate (e.g., Dabcyl-KTSAVLQSGFRKME-Edans, 10-20 uM). Incubate at 37degC for 30-60 minutes. Measure fluorescence increase (excitation 340 nm, emission 490 nm) as a measure of protease activity. Calculate IC50 values. For antiplasmodial assays: Culture P. falciparum (3D7 and W2 strains) in human red blood cells. Treat cultures with SARS-CoV-IN-1 at concentrations ranging from 1-1000 nM for 48-72 hours. Measure parasite growth inhibition by HRP2 ELISA or by incorporation of 3H-hypoxanthine. Calculate IC50 and IC90 values.
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| Cell Assay |
For antiviral assays: Infect Vero cells with SARS-CoV at an MOI of 0.01-0.1. Add SARS-CoV-IN-1 at varying concentrations (0.1-100 uM). Incubate for 48-72 hours. Measure viral replication by plaque assay or qRT-PCR for viral RNA. Calculate EC50 values. To study combination effects, co-apply SARS-CoV-IN-1 with RdRp inhibitors or entry blockers.
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| Animal Protocol |
No specific in vivo animal protocol exists for SARS-CoV-IN-1. For antiviral efficacy studies, intranasal administration or intraperitoneal injection may be used in mouse models adapted for SARS-CoV infection. For antiplasmodial studies, standard mouse malaria models (e.g., P. berghei) can be used with intraperitoneal or oral administration. These protocols require validation for this specific compound.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is available. The compound is soluble in DMSO at 41.67 mg/mL (94.34 mM). For in vivo formulation, it can be prepared in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline, yielding a clear solution at ≥4.17 mg/mL. The compound should be stored as a powder at -20degC for up to 3 years, or in solvent at -80degC for 6 months.
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| Toxicity/Toxicokinetics |
Resistance mechanisms involve protease binding-site substitutions that impair inhibitor occupancy without halting proteolysis. Common mutations at S1/S2 subsites and the catalytic periphery reduce susceptibility. Cross-resistance with protease inhibitors sharing the same binding pocket is possible. Regular sequencing of the protease gene is recommended to track resistance development. The compound is for research use only, not for human therapeutic use.
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| References | |
| Additional Infomation |
SARS-CoV-IN-1 acts as a potent coronavirus Mpro inhibitor and is widely used for replication inhibition research. It serves as a structural benchmark in computational antiviral docking and optimization. It is applied to evaluate protease substrate specificity and catalytic blockade, and is commonly employed to validate high-throughput inhibitor assays. The compound should be stored at -20degC, protected from humidity and light. It is soluble in DMSO to 10 mM; dilute immediately into buffer before experiments. Avoid multiple freeze-thaw cycles. No clinical trials or approved status exist.
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| Molecular Formula |
C23H24CLFEN3O
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|---|---|
| Molecular Weight |
441.70
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| CAS # |
888958-25-6
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| Appearance |
Light yellow to yellow solid powder
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| Synonyms |
SARSCoVIN1; SARS CoV IN 1
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~41.67 mg/mL (~94.34 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.17 mg/mL (9.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 41.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 4.17 mg/mL (9.44 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 41.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2640 mL | 11.3199 mL | 22.6398 mL | |
| 5 mM | 0.4528 mL | 2.2640 mL | 4.5280 mL | |
| 10 mM | 0.2264 mL | 1.1320 mL | 2.2640 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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