| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
GC813 sodium targets the MERS-CoV 3CL protease (3CLpro), also known as the main protease (Mpro). This cysteine protease is essential for the proteolytic processing of viral polyproteins into functional non-structural proteins, which are required for viral replication and transcription. GC813 binds to the active site of 3CLpro and inhibits its enzymatic activity, thereby blocking coronavirus replication. It is an analogue of GC376, a broad-spectrum inhibitor of picornavirus and coronavirus 3C/3CL proteases.
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|---|---|
| ln Vitro |
In vitro, GC813 is a potent and permeable inhibitor of MERS-CoV 3CL protease. It has demonstrated inhibitory activity in biochemical assays. In cell-based antiviral assays, GC813 (3 mM) shows inhibitory activity against MERS-CoV replication. It is a key research tool for studying coronavirus replication and protease inhibition. Exact IC50 values vary by assay and viral strain.
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| ln Vivo |
No independent in vivo efficacy data are widely reported for GC813 sodium. As a research compound, it is primarily used for in vitro and cellular studies. In vivo characterization, including pharmacokinetics, efficacy, and toxicity, has not been extensively reported. Its therapeutic potential in animal models remains to be determined. It is a tool compound for studying coronavirus replication and for developing antiviral therapeutics.
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| Enzyme Assay |
For non-cell enzyme assays, recombinant MERS-CoV 3CL protease is incubated with GC813 sodium and a fluorogenic or chromogenic peptide substrate. Protease activity is measured by fluorescence or absorbance. IC50 values are calculated from dose-response curves. The assay is used to evaluate the direct inhibition of 3CLpro by GC813.
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| Cell Assay |
In cell-based assays, MERS-CoV-infected cells are treated with serial dilutions of GC813 sodium. Viral replication is measured by plaque assay, qPCR, or immunofluorescence. Cell viability is measured by MTT or CCK-8. The antiviral activity of GC813 is assessed in both biochemical and cell-based antiviral assays.
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| Animal Protocol |
No established in vivo animal protocol exists for GC813 sodium. If in vivo studies were conducted, the compound would be formulated in DMSO/PEG/saline or saline and administered intraperitoneally or intranasally in mice or nonhuman primates challenged with MERS-CoV. Survival, viral load in lungs and nasal swabs, and clinical signs would be monitored. Pharmacokinetic parameters would be determined by LC-MS.
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| Exact Mass |
555.142
|
|---|---|
| CAS # |
2170616-59-6
|
| Related CAS # |
2170616-59-6 (sodium);2170616-58-5 (free acid);
|
| PubChem CID |
169298107
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| Appearance |
Typically exists as solid at room temperature
|
| tPSA |
182
|
| Hydrogen Bond Donor Count |
4
|
| Rotatable Bond Count |
13
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| Heavy Atom Count |
36
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| Complexity |
842
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| Defined Atom Stereocenter Count |
3
|
| SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCCC2=CC(=CC=C2)Cl.[Na+]
|
| InChi Key |
ZIVZAVLWWUPQGT-FCSMXUNPSA-M
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| InChi Code |
InChI=1S/C22H32ClN3O8S.Na/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27;/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33);/q;+1/p-1/t15-,17-,18-,21?;/m0./s1
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| Chemical Name |
sodium (2S)-2-[[(2S)-2-[2-(3-chlorophenyl)ethoxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
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
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