| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Paquinimod-d5-1 targets the S100A8/S100A9 complex, a heterodimer of two calcium-binding proteins that plays a role in inflammation and immune regulation. Paquinimod is a specific and orally active inhibitor of this complex. By inhibiting S100A8/S100A9, the compound modulates inflammatory responses. The deuterated form (d5-1) contains five deuterium atoms and is used as a tracer for pharmacokinetic studies.
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| ln Vitro |
In vitro activity of Paquinimod-d5-1 is expected to be similar to that of Paquinimod, as the deuterium substitution does not significantly affect target binding. Paquinimod is a specific inhibitor of the S100A8/S100A9 complex. The deuterated analog is used to study the inhibition of viral replication and to elucidate mechanisms of action against viral pathogens. Detailed in vitro activity data for the deuterated analog are not extensively documented.
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| ln Vivo |
In vivo activity of Paquinimod-d5-1 is studied to investigate the pharmacokinetics and pharmacodynamics of Paquinimod. Paquinimod rescues pneumonia with substantial reduction of viral loads in SARS-CoV-2-infected mice. The deuterated analog serves as a tracer for pharmacokinetic studies. It can be utilized to study the inhibition of viral replication and provide insights into potential therapeutic approaches.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for Paquinimod-d5-1 involves measuring its binding to the S100A8/S100A9 complex. Competitive binding assays using radiolabeled or fluorescently labeled ligands are performed to determine binding affinity. As a deuterated analog, its binding profile is expected to be similar to that of Paquinimod. Standard protocols include appropriate positive controls such as Paquinimod and vehicle controls.
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| Cell Assay |
In vitro cell-based assays for Paquinimod-d5-1 are conducted using immune cells to evaluate its effects on S100A8/S100A9-mediated inflammation. Cells are treated with the compound at various concentrations, and inflammatory cytokine production is measured by ELISA. The compound's ability to inhibit S100A8/S1009-mediated signaling is assessed. Standard protocols include appropriate positive controls such as Paquinimod and vehicle controls.
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| Animal Protocol |
In vivo animal studies for Paquinimod-d5-1 are typically conducted using SARS-CoV-2-infected mouse models. Animals are administered the compound orally, and viral loads are measured. The compound rescues pneumonia with substantial reduction of viral loads. Pharmacokinetic parameters are determined from plasma samples using mass spectrometry. The deuterated analog serves as a tracer for pharmacokinetic studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Paquinimod-d5-1 are studied to understand the impact of deuteration on drug metabolism. The compound has a molecular weight of 355.44 and a molecular formula of C21H17D5N2O3. As a deuterated analog, it may exhibit altered metabolic stability compared to the non-deuterated form due to the kinetic isotope effect. It serves as an S100A8/S100A9 inhibitor surrogate for analytical, tracer, and pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Toxicity information for Paquinimod-d5-1 is expected to be similar to that of Paquinimod. As a research-use compound, standard safety precautions for handling should be followed. The compound is designated for research use only and is not for human therapeutic applications. No detailed toxicity data are available from the search results.
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| References |
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| Additional Infomation |
Paquinimod-d5-1 (ABR-215757-d5-1) is a deuterated analog of Paquinimod, a specific and orally active inhibitor of S100A8/S100A9. Paquinimod rescues pneumonia with viral load reduction in SARS-CoV-2-infected mice. The deuterated analog serves as an isotopically labeled reference standard. It has MW 355.44 and formula C21H17D5N2O3. It is intended for research use only.
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| Molecular Formula |
C21H17D5N2O3
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|---|---|
| Molecular Weight |
355.44
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| Appearance |
Typically exists as solid at room temperature
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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 :~100 mg/mL (~281.34 mM; with sonication)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8134 mL | 14.0671 mL | 28.1341 mL | |
| 5 mM | 0.5627 mL | 2.8134 mL | 5.6268 mL | |
| 10 mM | 0.2813 mL | 1.4067 mL | 2.8134 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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