| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C19H15N3O3S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
NLRP3-IN-13 in the reference patent is a selective, potent inhibitor of NLRP3 (IC50 2.1 μM). It inhibits both the NLRP3 and NLRC4 inflammasomes suppresses NLRP3-mediated IL-1β production, and blocks NLRP3 ATPase activity. The compound can be used in the research of neuroinflammatory disorders[1]. It is supplied as an off-white to light yellow solid (C19H15N3O3S, MW 365.41) at 98.03% purity.
Physical & Chemical Properties
| CAS Number | 1704638-35-6 |
|---|---|
| Molecular Formula | C19H15N3O3S |
| Molecular Weight | 365.41 g/mol |
| Purity | 98.03% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | O=C1OC2=C(N1CC(NCC3=CN=CC(C4=CSC=C4)=C3)=O)C=CC=C2 |
| Target | NLRP3 |
| Signaling Pathway | Immunology/Inflammation |
| Solubility | In Vitro: DMSO: 50 mg/mL (136.83 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture and light. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description. Peer-reviewed publications that used this product are listed under References.
[1]. Devita Robert, et al. Benzoxazolones as inhibitors of inflammasomes and their preparation. Patent. WO2022187804.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 50 mg/mL (136.83 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); sealed storage, away from moisture and light; avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (6.84 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (6.84 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
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