| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C20H24N4O5S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
JT002 is an orally active, selective inhibitor of NLRP3 inflammasome assembly. It reduces NLRP3-dependent proinflammatory cytokine production (including IL-1β, IL-1α and IL-18) and pyroptosis by blocking formation of the NLRP3 inflammasome complex, and it lowers airway hyperresponsiveness and airway neutrophilia in mice, and can be used to study inflammatory diseases such as Muckle-Wells syndrome (MWS)[1]. It is supplied as a white to off-white solid (C20H24N4O5S, MW 432.49) at 99.54% purity.
Physical & Chemical Properties
| CAS Number | 2238820-43-2 |
|---|---|
| Molecular Formula | C20H24N4O5S |
| Molecular Weight | 432.49 g/mol |
| Purity | 99.54% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(NS(=O)(C1=C(OC[C@@H](OC)C2)N2N=C1)=O)NC3=C(CCC4)C4=CC5=C3CCC5 |
| Signaling Pathway | Immunology/Inflammation; Apoptosis |
| Solubility | In Vitro: DMSO: 100 mg/mL (231.22 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
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 | 100 mg/mL (231.22 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); 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 + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (5.78 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.
In Vitro
In hPBMCs (human peripheral blood mononuclear cells) that were treated with Lipopolysaccharides (LPS) and then activated with ATP, JT002 inhibits production of IL-1α, IL-1β and IL-18 concentration-dependently, giving respective mean IC50 values of 3 nM, 4 nM and 4 nM, and leaves TNFα production unaffected[1]. With LPS plus Nigericin stimulation, JT002 inhibits IL-1β production in human, mouse and rat PBMCs, yielding mean IC50 values of 6, 25 and 159 nM, respectively[1]. JT002 also inhibits IL-1β production concentration-dependently in human and mouse blood stimulated with LPS plus ATP (mean IC50 values of 100 nM and 94 nM, respectively)[1]. JT002 inhibits pyroptosis, as read out by cellular ATP content, in mouse bone-marrow derived macrophages (mBMDMs) stimulated with LPS plus nigericin (mean IC50 value of 7 nM)[1]. Canonical NLRP3-dependent IL-1β production that is activated downstream of ATP, Nigericin, cholesterol crystals (CHC), and monosodium urate (MSU) is blocked by JT002, with mean IC50 values of 5 nM, 23 nM, 2 nM and 3 nM, respectively; non-canonical induced IL-1β production is also inhibited, with a mean IC50 value of 30 nM[1]. After NLRP1, NLRC4 or AIM2 activation, JT002 does not inhibit IL-1β production at concentrations up to 10 μM[1]. JT002 blocks formation of the NLRP3 inflammasome complex and activation of the downstream pathway. In human PBMCs, JT002 inhibits cellular caspase-1 activity with an IC50 of 8 nM[1].
In Vivo
Body weight loss is prevented, liver inflammation and fibrosis are reduced, liver alanine aminotransferase levels are decreased, and circulating white blood cell and neutrophil counts are normalized by JT002 (30 mg/kg; oral gavage; once daily; 30 days) in Nlrp3A350V/+CreT knock-in mice (mimicking human Muckle-Wells syndrome)[1]. JT002 (2.5-25 mg/kg; oral gavage; once daily; from Day 23-29) is given to CD8a-/- mice that are sensitized with ovalbumin (OVA), challenged with OVA, and transferred with induced regulatory T cells (iTreg) (mimicking IL-17-dependent neutrophilic asthma). Airway hyperresponsiveness and airway neutrophilia are significantly reduced by the 25 mg/kg dose of JT002, as are submucosal inflammatory cell infiltration and the concentrations of IL-6 and IL-17 in bronchoalveolar lavage fluid, while the INFγ concentration is increased. The 2.5 mg/kg dose of JT002 has no significant effect[1]. In female C57BL6/J mice (a model of ozone-induced neutrophilic asthma), JT002 (2.5 mg/kg and 25 mg/kg; oral gavage; once daily; 4 days) is given. Ozone-induced airway hyperresponsiveness is prevented by the 25 mg/kg dose of JT002; the number of neutrophils in bronchoalveolar lavage fluid is significantly reduced, as is airway epithelial desquamation. The 2.5 mg/kg dose of JT002 has no significant effect[1].
| Animal Model | Nlrp3A350V/+CreT knock-in mice (male and female, 6-8 weeks ol)[1]. |
|---|---|
| Dosage | 30 mg/kg |
| Administration | Oral gavage, once daily, for 30 days starting on Day 1 |
| Result | Prevented body weight loss. Significantly reduced the liver weight as a percentage of body weight. Serum levels of alanine aminotransferase were decreased. Hepatic expression of pro-inflammatory and profibrotic genes was downregulated. |
| Animal Model | CD8a-/-C57BL6/j female mice (6-8 weeks old). The mice were sensitized by intraperitoneal injection of 20 μg OVA emulsified in 2.25 mg alum hydroxide on Days 0 and 14, and then received aerosol challenges with 1% OVA in PBS for 20 min each day on three consecutive days (Days 26-28)[1]. |
|---|---|
| Dosage | 2.5 mg/kg and 25 mg/kg |
| Administration | Oral gavage, once daily, from Day 23-29 |
| Result | The high dose significantly decreased airway hyperresponsiveness and airway neutrophilia, visibly decreased submucosal inflammatory cell infiltration, decreased the concentrations of BAL IL-6 and IL-17, and increased BAL INFγ concentrations. |
| Animal Model | Female C57BL6/J mice (8-12 weeks old). Mice were exposed to 1.0 ppm of O3 for 3 h[1]. |
|---|---|
| Dosage | 2.5 mg/kg and 25 mg/kg |
| Administration | Oral gavage, once daily, for 4 days |
| Result | The high dose prevented ozone-induced airway hyperresponsiveness, significantly reduced BAL fluid neutrophil numbers, and visibly reduced the appearance of epithelial cells in the airway lumen |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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