| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
IC50: 30 nM (SARS-CoV 3CLpro)[1]
GRL-0496 targets the 3C-like protease (3CLpro), also known as Mpro, of SARS-CoV and SARS-CoV-2. 3CLpro is a cysteine protease essential for viral replication, as it cleaves the viral polyprotein into functional proteins. By inhibiting 3CLpro, GRL-0496 blocks viral replication. The compound also inhibits MERS-CoV 3CLpro activity. Structurally, it is a chloropyridyl ester derivative with the molecular formula C₁₄H₉ClN₂O₂ and a molecular weight of 272.7 g/mol. |
|---|---|
| ln Vitro |
GRL-0496 exhibits the highest antiviral activity against SARS-CoV, with an EC EC50 of 6.9 μM[1].
In vitro, GRL-0496 demonstrates potent inhibition of SARS-CoV 3CLpro with an IC50 of 30 nM. It shows antiviral efficacy against SARS-CoV with an EC50 of 6.9 μM. The compound also inhibits MERS-CoV 3CLpro activity with an EC50 of approximately 12.5 μM. In enzyme inhibition and antiviral assays, the compound maintains consistent potency. These in vitro activities support its use as a lead compound for therapeutic development against coronaviruses. |
| ln Vivo |
In vivo data for GRL-0496 is limited in publicly available sources. As a potent 3CLpro inhibitor with in vitro antiviral activity, the compound is expected to have potential applications in animal models of coronavirus infection. By inhibiting viral protease activity, it could reduce viral replication and disease severity. However, specific published in vivo efficacy studies are not widely reported for this compound. GRL-0496 is primarily used as a research tool for studying coronavirus protease biology.
|
| Enzyme Assay |
The in vitro 3CLpro inhibition assay for GRL-0496 uses recombinant 3CLpro enzyme and a fluorogenic peptide substrate that mimics the viral polyprotein cleavage site. Enzyme activity is measured by monitoring the increase in fluorescence upon substrate cleavage. Varying concentrations of the compound are incubated with the enzyme, and IC50 values are calculated from dose-response curves. Antiviral assays are performed in cell lines infected with SARS-CoV or MERS-CoV, with EC50 values determined by measuring viral replication or cytopathic effect.
|
| Cell Assay |
Cellular antiviral assays for GRL-0496 are conducted in cell lines susceptible to SARS-CoV or SARS-CoV-2 infection, such as Vero E6 cells. Cells are infected with the virus in the presence of varying concentrations of the compound. Viral replication is measured by quantifying viral RNA, plaque formation, or cytopathic effect. EC50 values are calculated from dose-response curves. Cell viability is assessed to confirm that antiviral activity is not due to cytotoxicity. The compound's effects on viral protease activity in cells are confirmed by Western blotting for viral polyprotein processing.
|
| Animal Protocol |
In vivo studies for GRL-0496 would typically involve animal models of SARS-CoV or MERS-CoV infection, such as mice or hamsters. The compound would be administered via various routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring viral loads in tissues, clinical signs of disease, and survival rates. However, specific published in vivo protocols for GRL-0496 are not available in the current literature. The compound is currently used as a research tool.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for GRL-0496 is not extensively reported in publicly available sources. The compound has a molecular weight of 272.69 g/mol and is soluble in DMSO. As a small molecule protease inhibitor, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life, clearance, and volume of distribution are not available in the current literature for this research compound. The compound is typically stored at -20°C for long-term stability.
|
| Toxicity/Toxicokinetics |
Toxicity data for GRL-0496 is limited in publicly available sources. As with all research compounds, GRL-0496 is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment. No specific toxicity data has been reported for this compound in the available literature.
|
| References | |
| Additional Infomation |
(5-Chloropyridin-3-yl)1H-indole-4-carboxylic acid ester is an indolecarboxylic acid. It has anti-coronavirus activity.
GRL-0496 is a potent chloropyridyl ester-derived inhibitor of SARS-CoV and SARS-CoV-2 3CLpro with an IC50 of 30 nM. It shows antiviral efficacy with an EC50 of 6.9 μM against SARS-CoV and also inhibits MERS-CoV 3CLpro. Structurally a chloropyridyl ester derivative (C₁₄H₉ClN₂O₂, MW 272.7 g/mol), GRL-0496 is used as a lead compound for therapeutic development against coronaviruses. It is a valuable tool for studying coronavirus protease biology and developing antiviral strategies. |
| Molecular Formula |
C14H9CLN2O2
|
|---|---|
| Molecular Weight |
272.686462163925
|
| Exact Mass |
272.035
|
| CAS # |
1087243-14-8
|
| PubChem CID |
25110701
|
| Appearance |
Light yellow to green yellow solid powder
|
| LogP |
2.8
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
19
|
| Complexity |
339
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC1=CN=CC(=C1)OC(C1=CC=CC2=C1C=CN2)=O
|
| InChi Key |
BOSZJNSICHFHMA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
|
| Chemical Name |
(5-chloropyridin-3-yl) 1H-indole-4-carboxylate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : 100 mg/mL (366.72 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.17 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 25.0 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: ≥ 2.5 mg/mL (9.17 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (9.17 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6672 mL | 18.3358 mL | 36.6717 mL | |
| 5 mM | 0.7334 mL | 3.6672 mL | 7.3343 mL | |
| 10 mM | 0.3667 mL | 1.8336 mL | 3.6672 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
