| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
NLRP3 574 nM (IC50)
NLRP3. |
|---|---|
| ln Vitro |
NLRP3-IN-NBC6 (10 μM; 15 minutes) suppresses Imiquimod-induced IL-1β production in primary BMDMs that have been primed with LPS. Neutrophils were extracted from WT and NLRP3 KO murine bone marrow and primed with LPS before receiving Nigericin treatment in the presence of 10 μM NLRP3-IN-NBC6, which totally blocks NLRP3-dependent IL-1β release in neutrophils[1].
NLRP3‑IN‑NBC6 inhibits NLRP3 inflammasome activation with an IC₅0 of 574 nM. The inhibition is independent of Ca2+ flux, distinguishing its mechanism from some other NLRP3 inhibitors. It blocks nigericin‑induced inflammatory responses in THP‑1 cells and suppresses Imiquimod‑induced IL‑1beta release from LPS‑primed bone marrow‑derived macrophages (BMDMs). |
| ln Vivo |
No in vivo activity data specifically reported. For similar NLRP3 inhibitors, in vivo efficacy is typically evaluated in mouse models such as LPS/ATP‑induced peritonitis or DSS‑induced colitis, measuring IL‑1beta levels and neutrophil influx following oral or intraperitoneal administration of the compound at doses ranging from 10‑50 mg/kg.
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| Enzyme Assay |
Not available. Generic receptor binding assay: The interaction between NLRP3‑IN‑NBC6 and NLRP3 protein can be assessed using surface plasmon resonance (SPR). Purified recombinant human NLRP3 (NACHT domain) is immobilized on a CM5 chip, and test compound at concentrations ranging from 0.1 nM to 10 microM in running buffer (10 mM HEPES pH 7.4, 150 mM NaCl, 0.05% Tween‑20, 2% DMSO) is injected over the chip. Association (kon) and dissociation (koff) rates are determined, and KD is calculated (KD = koff/kon).
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| Cell Assay |
Human THP‑1 monocytes are differentiated into macrophages with PMA (100 nM, 48 h). Cells are seeded in 96‑well plates (1×10⁵/well), primed with LPS (100 ng/mL, 4 h), then treated with NLRP3‑IN‑NBC6 (0.1‑10 microM, 1 h), followed by activation with nigericin (10 microM, 1 h) or ATP (5 mM, 1 h). Supernatants are collected for human IL‑1beta ELISA. Alternatively, mouse primary BMDMs are prepared from C57BL/6 mice, primed with LPS (200 ng/mL, 3 h), then treated with compound, and activated with Imiquimod (50 microg/mL) for 4‑6 h. IL‑1beta levels in supernatants are measured by mouse IL‑1beta ELISA kit.
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| Animal Protocol |
No published in vivo protocol for this specific compound. A generic model for evaluating NLRP3 inhibitors in vivo: Female C57BL/6J mice (6‑8 weeks, n=8 per group) are injected intraperitoneally with LPS (10 mg/kg). After 2 h, mice receive compound (10‑30 mg/kg in 200 microL vehicle) by i.p. injection, followed immediately by ATP (5 mM, 200 microL, i.p.). Blood is collected 1‑2 h after ATP administration via cardiac puncture. Serum is separated and analyzed for mouse IL‑1beta, IL‑18, and TNF‑alpha by ELISA. Spleens and peritoneal lavage cells may be collected for flow cytometric analysis of inflammasome activation.
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| ADME/Pharmacokinetics |
No PK data reported. Generic PK protocol: Male CD‑1 mice receive a single intravenous (2 mg/kg) or oral (10 mg/kg) dose of NLRP3‑IN‑NBC6 formulated in 5% DMSO/10% Solutol HS 15/85% saline. Blood samples (30 microL) are collected via tail vein at 0.083, 0.25, 0.5, 1, 2, 4, 6, 8, 12, and 24 h post‑dose into heparinized tubes. Plasma is separated and stored at ‑80degC until analysis by LC‑MS/MS. PK parameters are calculated using WinNonlin software (non‑compartmental model).
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| Toxicity/Toxicokinetics |
No toxicity data reported. Generic acute toxicity study in rodents: ICR mice (10 animals/sex/group) receive a single intraperitoneal injection of NLRP3‑IN‑NBC6 at doses of 50, 100, 200 mg/kg in 0.2 mL vehicle (10% DMSO/5% Tween‑80/85% saline). Animals are observed for clinical signs (tremors, convulsions, ataxia, diarrhea, changes in respiration) at 0.5, 1, 2, 4, 8, 24, and 48 h post‑dose, and daily thereafter for 14 days. Body weights are recorded daily. At study termination, all animals are necropsied for gross pathological examination.
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| References | |
| Additional Infomation |
NLRP3‑IN‑NBC6 is a research‑only chemical tool with no reported clinical trials or approved indications. Its unique Ca2+‑independent mechanism of action makes it a valuable probe for dissecting the molecular pathways of NLRP3 activation that are independent of ionic flux. The compound is used exclusively for basic science research in inflammasome biology and pharmacology.
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| Molecular Formula |
C18H16BCL3N2O2
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|---|---|
| Molecular Weight |
409.50
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| Exact Mass |
408.037
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| CAS # |
2068818-02-8
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| PubChem CID |
145237739
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
600
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[B-]1([NH+]=C(C(=C(O1)N)C(=O)C)C(Cl)(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3
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| InChi Key |
VKECODDKRKQJNM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H16BCl3N2O2/c1-12(25)15-16(18(20,21)22)24-19(26-17(15)23,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,24H,23H2,1H3
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| Chemical Name |
1-[6-amino-2,2-diphenyl-4-(trichloromethyl)-1-oxa-3-azonia-2-boranuidacyclohexa-3,5-dien-5-yl]ethanone
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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 | 2.4420 mL | 12.2100 mL | 24.4200 mL | |
| 5 mM | 0.4884 mL | 2.4420 mL | 4.8840 mL | |
| 10 mM | 0.2442 mL | 1.2210 mL | 2.4420 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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