| Size | Price | Stock | Qty |
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| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.9427 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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