| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Olgotrelvir sodium targets two distinct entities: the coronavirus main protease (Mpro, also known as 3CLpro) and human cell cathepsin L. Mpro is a viral protease essential for the replication of coronaviruses, including SARS-CoV-2, by cleaving the viral polyprotein into functional proteins. Cathepsin L is a host cell protease that facilitates SARS-CoV-2 entry into cells by processing the viral spike protein. By inhibiting both targets, Olgotrelvir sodium blocks viral replication at two distinct steps of the viral life cycle: entry and replication.
|
|---|---|
| ln Vitro |
Olgotrelvir sodium shows potent in vitro activity against SARS-CoV-2 by inhibiting both viral replication and host cell entry. The compound inhibits coronavirus main protease (Mpro) activity, preventing the processing of viral polyproteins and thereby blocking viral replication. Simultaneously, inhibition of cathepsin L prevents the proteolytic activation of the SARS-CoV-2 spike protein, blocking viral entry into host cells. This dual mechanism may provide enhanced antiviral efficacy compared to single-target inhibitors.
|
| ln Vivo |
In vivo activity of Olgotrelvir sodium has been demonstrated in preclinical models of SARS-CoV-2 infection. As an orally active compound, it is suitable for convenient administration via oral gavage. The compound is easily converted to its active form ACL115 in blood and plasma, ensuring rapid conversion to the active species following oral administration. Olgotrelvir sodium has been developed as a therapeutic for COVID-19, with the potential to address both early and late stages of infection through its dual mechanism of action.
|
| Enzyme Assay |
Non-cell-based enzyme assays for Olgotrelvir sodium typically involve measuring the inhibition of SARS-CoV-2 Mpro and cathepsin L activities using fluorogenic substrates. A standard protocol for Mpro inhibition includes: incubating purified Mpro enzyme with a fluorogenic substrate (such as Dabcyl-KTSAVLQ↓SGFRKMK-Edans) in assay buffer (pH 7.3) at 37°C. Olgotrelvir sodium is added at various concentrations (typically 0.001–100 μM), and the release of fluorescence is monitored over time. Cathepsin L inhibition is assessed using a similar format with a cathepsin L-specific substrate.
|
| Cell Assay |
Cellular assays for Olgotrelvir sodium typically involve SARS-CoV-2-infected cell lines such as Vero E6 or Calu-3 cells. A representative protocol includes: culturing cells in appropriate medium, infecting with SARS-CoV-2 at a suitable MOI, treating with Olgotrelvir sodium at various concentrations (0.001–100 μM) for 24–72 hours, and measuring viral replication by qRT-PCR for viral RNA or by plaque assay. Cytotoxicity is assessed in parallel using MTT or CellTiter-Glo assays to determine the therapeutic index.
|
| Animal Protocol |
In vivo animal studies with Olgotrelvir sodium are conducted in mouse models of SARS-CoV-2 infection, such as K18-hACE2 transgenic mice or Syrian hamsters. A typical protocol involves intranasal inoculation of the animals with SARS-CoV-2, followed by oral administration of Olgotrelvir sodium at doses determined from pharmacokinetic studies (typically 10–100 mg/kg, once or twice daily) for several days. Viral load in lung tissues is measured by qRT-PCR or plaque assay, and histopathological analysis is performed to assess lung inflammation and damage.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Olgotrelvir sodium have been characterized for oral administration. The compound is orally active and is easily converted in full blood and/or plasma to its active form ACL115. The compound has a molecular weight of 516.54 g/mol. Standard PK parameters including half-life, Cmax, and AUC can be determined from plasma concentration-time profiles following oral administration, with measurement of both the prodrug and the active metabolite ACL115.
|
| Toxicity/Toxicokinetics |
As an investigational drug, Olgotrelvir sodium is being evaluated for safety in preclinical and clinical studies. The compound is not yet approved for human therapeutic use in all regions. Standard safety assessments include cytotoxicity screening, hERG channel inhibition testing, and toxicology studies in animal models to determine maximum tolerated dose and identify potential target organs of toxicity.
|
| References | |
| Additional Infomation |
Olgotrelvir sodium (STI-1558 sodium) is a dual inhibitor of SARS-CoV-2 Mpro and host cathepsin L, representing a promising therapeutic approach for COVID-19. By targeting both viral replication and host cell entry, the compound may provide enhanced antiviral efficacy and a higher barrier to resistance compared to single-target inhibitors. The compound is referenced in the primary literature for its potent antiviral activity and is available for research applications.
|
| Exact Mass |
516.165
|
|---|---|
| CAS # |
2763596-72-9
|
| PubChem CID |
166157330
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
35
|
| Complexity |
866
|
| 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)C2=CC3=CC=CC=C3N2.[Na+]
|
| InChi Key |
WEMYKLGDWNXOBX-MMUJOADSSA-M
|
| InChi Code |
InChI=1S/C22H30N4O7S.Na/c1-12(2)9-16(25-21(29)17-10-13-5-3-4-6-15(13)24-17)20(28)26-18(22(30)34(31,32)33)11-14-7-8-23-19(14)27;/h3-6,10,12,14,16,18,22,24,30H,7-9,11H2,1-2H3,(H,23,27)(H,25,29)(H,26,28)(H,31,32,33);/q;+1/p-1/t14-,16-,18-,22?;/m0./s1
|
| Chemical Name |
sodium (2S)-1-hydroxy-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
|
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O :~50 mg/mL (~96.80 mM; with sonication)
|
|---|---|
| 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
