| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
NLRP3 <0.3 μM (IC50)
NLRP3 (NOD-, LRR- and pyrin domain-containing protein 3), a key component of the NLRP3 inflammasome. NLRP3-IN-11 is an NLRP3 protein inhibitor with an IC50 of <0.3 μM. By inhibiting NLRP3, the compound blocks the assembly and activation of the NLRP3 inflammasome, thereby reducing the production of pro-inflammatory cytokines such as IL-1β and IL-18. |
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| ln Vitro |
In the human PBMC NLRP3 assay, NLRP3-IN-11 exhibits biological activity with an IC50 value of less than 0.3 μM[1].
In vitro, NLRP3-IN-11 is a potent NLRP3 inhibitor with an IC50 of <0.3 μM. The compound exhibits biological activity against NLRP3, suggesting that it can effectively inhibit NLRP3 inflammasome activation and subsequent inflammatory responses. The compound's potent activity makes it a valuable tool for studying NLRP3-mediated inflammation in various disease models. |
| ln Vivo |
In vivo, NLRP3-IN-11 can be used in the research of inflammatory and degenerative diseases, including NASH, atherosclerosis, Alzheimer's disease, Parkinson's disease, diabetes, gout, and other autoinflammatory conditions. By inhibiting NLRP3, the compound may reduce chronic inflammation and associated tissue damage in these diseases. However, detailed in vivo efficacy data in specific animal models are limited in the available literature.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assay for NLRP3-IN-11 is not a typical enzyme inhibition assay, as NLRP3 is not an enzyme but a scaffolding protein. Instead, the compound's activity is assessed in cell-based assays measuring NLRP3 inflammasome activation. The binding of NLRP3-IN-11 to NLRP3 could potentially be assessed using surface plasmon resonance or other biophysical techniques, but such assays are not described in the available literature.
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| Cell Assay |
In vitro cellular assays for NLRP3-IN-11 are performed using macrophages or other cell types that express NLRP3. Cells are primed with LPS and then stimulated with an NLRP3 activator (e.g., nigericin, ATP, or monosodium urate crystals) in the presence of varying concentrations of the compound. IL-1β production is measured in the culture supernatant by ELISA. The compound's ability to inhibit NLRP3-mediated IL-1β secretion is assessed, and the IC50 is determined from dose-response curves.
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| Animal Protocol |
In vivo animal experiments for NLRP3-IN-11 would typically be conducted in rodent models of the diseases mentioned, such as diet-induced NASH, atherosclerosis models (ApoE⁻/⁻ mice), or neurodegenerative disease models. The compound would be administered via oral gavage or intraperitoneal injection. Pharmacodynamic endpoints would include the measurement of IL-1β and other inflammatory cytokines in serum or tissues, assessment of NLRP3 inflammasome activation markers, and evaluation of disease-specific outcomes (e.g., liver fibrosis, plaque formation, cognitive function).
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| ADME/Pharmacokinetics |
Pharmacokinetic data for NLRP3-IN-11 are limited. As a small molecule with a molecular weight consistent with this class of compounds, NLRP3-IN-11 is expected to have moderate oral bioavailability and tissue distribution. However, detailed pharmacokinetic parameters such as half-life, Cmax, AUC, and clearance have not been extensively reported. Further studies would be required to fully characterize its ADME properties.
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| Toxicity/Toxicokinetics |
Toxicology data for NLRP3-IN-11 are limited. The compound is used for research purposes only and is not approved for human use. No significant toxicities have been reported in the available literature. As an NLRP3 inhibitor, the compound may have immunomodulatory effects that could impact host defense against infections. Careful evaluation of safety and potential off-target effects would be required for therapeutic development.
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| References | |
| Additional Infomation |
NLRP3-IN-11 (CAS: 2769040-91-5) is a potent NLRP3 protein inhibitor with an IC50 of <0.3 μM. It has potential anti-inflammatory activity and can be used in the research of inflammatory and degenerative diseases, including NASH, atherosclerosis, Alzheimer's disease, Parkinson's disease, diabetes, gout, and other autoinflammatory conditions. The compound is not approved for human use and is intended for research purposes only.
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| Molecular Formula |
C17H17CLN4O2
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|---|---|
| Molecular Weight |
344.795482397079
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| Exact Mass |
344.104
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| CAS # |
2769040-91-5
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| PubChem CID |
164754476
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| Appearance |
White to off-white solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
24
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| Complexity |
425
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(O)=CC(Cl)=CC=C1C1=NN=C(NCC(O)(C)C)C2=CN=CC=C21
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| InChi Key |
UDNICEVHCYUJFU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H17ClN4O2/c1-17(2,24)9-20-16-13-8-19-6-5-11(13)15(21-22-16)12-4-3-10(18)7-14(12)23/h3-8,23-24H,9H2,1-2H3,(H,20,22)
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| Chemical Name |
5-chloro-2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: 125 mg/mL (362.53 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.08 mg/mL (6.03 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9002 mL | 14.5012 mL | 29.0023 mL | |
| 5 mM | 0.5800 mL | 2.9002 mL | 5.8005 mL | |
| 10 mM | 0.2900 mL | 1.4501 mL | 2.9002 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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