| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
NLRP3 ≤1.0 μM (IC50)
NLRP3 (NOD-like receptor family pyrin domain containing 3). |
|---|---|
| ln Vitro |
NLRP3‑IN‑18 is a potent NLRP3 inhibitor with an IC₅0 value of ≤1.0 microM as determined in cellular assays. It effectively suppresses NLRP3 inflammasome activation and downstream IL‑1beta secretion in vitro.
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| ln Vivo |
No in vivo activity data specifically reported for NLRP3‑IN‑18. For similar NLRP3 inhibitors, in vivo efficacy is typically evaluated in mouse models of NLRP3‑mediated inflammation, such as LPS/ATP‑induced peritonitis or MSU crystal‑induced peritonitis, with measurement of IL‑1beta and neutrophil influx in peritoneal lavage fluid following oral or intraperitoneal administration.
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| Enzyme Assay |
Not available. Generic NLRP3 binding assay: Recombinant human NLRP3 NACHT domain protein is immobilized on a sensor chip, and test compound (0.1 nM‑10 microM) is flowed over the chip in running buffer (PBS‑T with 5% DMSO). Binding affinity (KD) is determined by surface plasmon resonance (SPR) using a Biacore system. Steady‑state binding responses are fitted to a 1:1 Langmuir binding model.
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| Cell Assay |
Immortalized human THP‑1 monocytes or mouse primary bone marrow‑derived macrophages (BMDMs) are seeded in 96‑well plates (5×10⁴/well). Cells are primed with LPS (100 ng/mL, 3‑4 h) to induce NLRP3 expression, then treated with NLRP3‑IN‑18 (0.01‑10 microM, 30 min), followed by activation with nigericin (10 microM, 30‑60 min) or ATP (5 mM, 1 h). Supernatants are collected for IL‑1beta ELISA. Cell pellets are lysed and analyzed for caspase‑1 p20 cleavage by Western blot.
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| Animal Protocol |
No published in vivo protocol for this specific compound. Generic peritonitis model: Male C57BL/6 mice (8‑10 weeks, n=6‑8 per group) are given intraperitoneal injection of LPS (20 microg in 200 microL PBS) followed 2 h later by ATP (10 mM in 200 microL PBS). Test compound is administered i.p. (10‑30 mg/kg) 30 min before ATP injection. After 30 min, mice are euthanized, and peritoneal cavities are lavaged with 5 mL PBS. Lavage fluid is collected for IL‑1beta ELISA and neutrophil count (flow cytometry or cytospin).
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| ADME/Pharmacokinetics |
No PK data reported. Generic PK for NLRP3 inhibitors: Male C57BL/6 mice receive single intravenous (5 mg/kg) or oral (25 mg/kg) dose of compound in 10% DMSO/40% PEG300/5% Tween‑80/45% saline. Blood samples (25 microL) are collected via tail vein at 0.083, 0.25, 0.5, 1, 2, 4, 6, 8, 12, and 24 h post‑dose. Plasma is separated by centrifugation and analyzed by LC‑MS/MS. PK parameters are calculated using non‑compartmental analysis (WinNonlin).
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| Toxicity/Toxicokinetics |
No toxicity data reported. Generic acute oral toxicity: ICR mice (5 animals/sex/group) receive a single oral dose of NLRP3‑IN‑18 at 200, 500, 1000 mg/kg in 0.5% methylcellulose. Animals are observed for 14 days for mortality, clinical signs (pilorection, hunched posture, reduced activity), body weight changes, and food/water consumption. All surviving animals are euthanized and subjected to gross necropsy for organ examination.
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| References | |
| Additional Infomation |
NLRP3‑IN‑18 is a research‑grade chemical tool for studying the NLRP3 inflammasome in inflammation and immunity. As a research compound, it has not entered clinical trials and has no approved therapeutic indications. Its potency (≤1.0 microM IC₅0) makes it suitable for cellular studies targeting NLRP3 activation pathways.
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| Molecular Formula |
C19H18CLN3O
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|---|---|
| Molecular Weight |
339.818723201752
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| Exact Mass |
339.113
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| CAS # |
2769040-06-2
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| PubChem CID |
164983524
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| Appearance |
White to off-white solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
24
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| Complexity |
402
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1(NC[C@@H]2CCCO2)C2=C(C=CC=C2)C(C2=CC=C(Cl)C=C2)=NN=1
|
| InChi Key |
FVFXAPATLSJYGX-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C19H18ClN3O/c20-14-9-7-13(8-10-14)18-16-5-1-2-6-17(16)19(23-22-18)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,23)/t15-/m0/s1
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| Chemical Name |
4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]phthalazin-1-amine
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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: ~5 mg/mL (~14.7 mM; with ultrasonication and warming by heating to 60°C)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.5 mg/mL (1.47 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (5.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 0.5 mg/mL (1.47 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (5.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 0.5 mg/mL (1.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (5.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9427 mL | 14.7137 mL | 29.4273 mL | |
| 5 mM | 0.5885 mL | 2.9427 mL | 5.8855 mL | |
| 10 mM | 0.2943 mL | 1.4714 mL | 2.9427 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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