NLRP3-IN-18 , CAS No.2769040-06-2

CAS: 2769040-06-2 Cat. No.: N649784 Formula: C₁₉H₁₈ClN₃O Peso molecolare: 339.82

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

NLRP3-IN-18 (compound 13) is a potent NLRP3 inhibitor with an IC 50 value of ≤1.0 µM

Form:Solid

IC50& Target:NLRP3 ≤1.0 μM (IC 50 )

Specifications

Meccanismi biochimici e fisiologici

NLRP3-IN-18 (compound 13) is a potent NLRP3 inhibitor with an IC 50 value of ≤1.0 µM.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

Peso molecolare

339.82

Application Protocols

Only information from Product Data may be included here.

• Tested applications, recommended concentrations, and dilution guidelines: Not specified for this item; refer to CoA/Spec Sheet.

General reminder

• Research Use Note: For research use only (per Product Data).

Biological Roles

Context (general background on the biological system; not item-specific)

• NLRP3 (NOD-, LRR-, and pyrin domain-containing protein 3) is a cytosolic pattern-recognition receptor that assembles an inflammasome upon activation. The canonical complex recruits ASC and pro-caspase-1, leading to caspase-1 activation, maturation of IL-1β/IL-18, and pyroptotic responses.
• Activation triggers include ion flux (K+ efflux), mitochondrial dysfunction/ROS, lysosomal damage, and certain crystalline/particulate stimuli. Priming via NF-κB upregulates NLRP3 and pro-IL-1β transcription.
• Small-molecule inhibitors targeting NLRP3 may act on distinct steps: direct NLRP3 conformational control, ATPase/NACHT domain modulation, interference with NEK7 interaction, or disruption of oligomerization (mechanisms are compound-specific and are Not specified for this item; refer to primary literature for the named scaffold).

Use in research

• Chemical inhibition of NLRP3 is widely used to delineate inflammasome-driven signaling, decouple upstream priming from downstream activation, and benchmark genetic models.
• Cross-talk with other inflammasomes (AIM2, NLRC4) and TLR signaling necessitates proper controls to establish pathway specificity.

Note: No therapeutic or clinical claims are made. This product is intended strictly for research use, as stated in the Product Data.

Buffer Applications

This product is a small-molecule inhibitor and is not itself a buffering agent. Consequently, conventional buffer system design (pH range, buffer capacity) is not applicable.

Practical notes for assay buffers (general; not item-specific)

• When diluting DMSO stocks into assay buffers or culture media, maintain consistent final DMSO across all wells/tubes (e.g., 0.1–0.5% v/v) and verify compound remains in solution (no opalescence/precipitation).
• Inclusion of 0.01–0.05% non-ionic surfactant (e.g., Tween-20) or 0.1% BSA can help reduce adsorption and precipitation for hydrophobic compounds, subject to assay compatibility.

Item-specific buffer instructions: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

NLRP3-IN-18 is a bioactive screening compound rather than a process solvent or reagent; “green alternatives” primarily concern solvent choices for dissolution and handling in assays (general guidance; not item-specific).

Greener handling options

• Prefer DMSO over chlorinated solvents for stock solutions due to lower toxicity, non-volatility, and compatibility with aqueous assay dilution.
• Minimize solvent volumes: Use high-concentration stocks (e.g., 10–50 mM) to keep final DMSO content ≤0.1–0.5% v/v.
• Avoid DMF and NMP where possible due to reproductive toxicity profiles; if required for solubility, replace with DMSO or ethanol when compatible with assay biology.

Comparison (general)

• DMSO: High solvency, miscible with water, low volatility; widely accepted in HTS and cell assays.
• Ethanol: Renewable feedstock, biodegradable; however, higher volatility and potential biological effects at ≥0.5–1% v/v.
• PEG-400 or cyclodextrins: May aid solubilization but can modulate biological readouts; evaluate carefully.

Operational sustainability

• Use small aliquots to reduce freeze–thaw cycles and waste.
• Implement microplate-based assays and miniaturization to cut solvent use and compound consumption.

Always confirm solvent compatibility with your specific biological system.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing/formulation uses are provided for this catalog entry. This product is supplied strictly for research use only.

• Regulatory/compendial listing: Not specified for this item; refer to CoA/Spec Sheet.
• Excipient/processing aid use: Not applicable—this is a bioactive small molecule, not a typical excipient.

Note: Do not use in humans or for clinical applications. For formulation studies in preclinical research, determine compound salt form, polymorph, and stability independently (not specified here) before extrapolating to dosage forms.

Physical Properties

Item-specific physicochemical properties are not included in the Product Data for this catalog entry.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/common practice for screening compounds; not item-specific)

• Many small-molecule inhibitors are supplied as solids and prepared as concentrated stock solutions (e.g., 10–50 mM) in anhydrous DMSO, then diluted into aqueous assay buffers immediately before use to minimize precipitation and adsorption losses.
• Actual solubility, hygroscopicity, and polymorph behavior are compound-specific; verify with the item’s CoA/Spec Sheet and perform a small-scale solubility test under your assay conditions.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

How to interpret quality for screening compounds (general guidance)

• Screening/Library-grade small molecules are typically supplied with purity verified by HPLC/UPLC and identity by MS and/or NMR. UV trace and residual solvent levels may be reported. When selecting material for quantitative biology or mechanistic enzymology, request detailed analytical data (chromatogram, method, and detection wavelength) and confirm salt form.
• Low-water and low-peroxide specifications are important for reactive chemotypes but are compound-specific; these are Not specified for this item; refer to CoA/Spec Sheet.
• If a stabilizer or specific counterion is present, it materially impacts solubility and assay behavior; none is stated here (Not specified for this item; refer to CoA/Spec Sheet).

Recommendations

• For high-sensitivity assays, confirm batch-to-batch consistency by reviewing the CoA (purity method/threshold, identity confirmation, residual solvents, and water content).
• If you require an analytical or cell-screening grade with defined absorbance limits (for optical assays), contact us with your wavelength requirements to verify suitability.

Reaction and Applications

This catalog entry is positioned as a small-molecule inhibitor (compound library), not as a synthetic reagent. Consequently, it is not typically used as a stoichiometric reagent, catalyst, or solvent in preparative organic reactions.

Research applications (general; not item-specific)

• Tool compound usage: Employed to probe pathways involving the NLRP3 inflammasome in biochemical and cell-based experiments, such as monitoring IL-1β maturation or caspase-1 activation after priming/activation stimuli.
• Target validation: Utilized in comparative assays alongside genetic perturbations (e.g., siRNA/CRISPR of NLRP3) to dissect on-target vs off-target effects.
• Phenotypic screening: Included in small-molecule panels to benchmark assay responsiveness and to explore structure–activity relationships (SAR) where analog series are available.

Practical notes

• Prepare concentrated DMSO stocks under dry, inert conditions if the compound is moisture/air sensitive (compound-specific; Not specified for this item; refer to CoA/Spec Sheet).
• Control experiments: Include vehicle controls at matched DMSO percentages and concentration–response curves across at least 8–12 points (e.g., 3-fold dilutions) to establish potency metrics.

For use in chemical synthesis or named reactions, please select reagents designed for that purpose in our catalog.

Reaction Conditions

As a screening compound, NLRP3-IN-18 is not typically used as a reagent in chemical reactions; thus, standard synthetic “reaction conditions” are not applicable.

Assay handling conditions (general; not item-specific)

• Stock preparation: Frequently 10–50 mM in anhydrous DMSO; filter if necessary through 0.22 μm PTFE after confirming no adsorption.
• Working concentrations: Determined empirically via concentration–response curves; include vehicle controls at matched DMSO levels. Specific potency and assay windows for this item are Not specified for this item; refer to CoA/Spec Sheet and literature.
• Incubation: Pre-incubate inhibitor with the biological system (cells/lysates/recombinant proteins) as dictated by the assay (e.g., 15–60 min) before stimulation; optimize for your model.
• Stability: Protect from repeated freeze–thaw and exposure to light/air if the chemotype is sensitive; item-specific stability is Not specified for this item; refer to CoA/Spec Sheet.

For chemical reaction planning, choose purpose-built reagents from our synthesis portfolio.

Safety and Handling

Hazard classification details are not provided in the Product Data for this item. Always consult the SDS for authoritative safety information.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word/Pictograms/H-Statements: Not specified for this item; refer to SDS.

General laboratory precautions (good practice; not item-specific)

• PPE: Wear lab coat, safety glasses, and appropriate gloves (e.g., nitrile). Handle powders in a fume hood to avoid inhalation of dust or aerosols.
• Avoid contact with skin/eyes and inhalation of dust or vapors. Wash thoroughly after handling.
• Storage incompatibilities: Until structure-specific data are known, segregate from strong oxidizers and acids/bases. Keep container tightly closed and moisture-free to preserve material integrity.
• First aid (overview): If inhaled—move to fresh air; if skin contact—wash with soap and water; if eye contact—rinse cautiously with water for several minutes; if ingested—seek medical attention. Follow site SDS protocols.
• Special risks: For unknown stability, minimize freeze–thaw cycles and limit light exposure. When preparing DMSO stocks, avoid elevated temperatures that can accelerate degradation.

Storage and shipping (item-specific)

• Storage Conditions: Store at -20°C (per Product Data).
• Shipped In: Ice chest + Ice pads (per Product Data).

Solvent Selection

Item-specific solubility data are not provided. The following are general best practices for small-molecule inhibitors used in biochemical/cell assays (literature/experience-based; not item-specific).

• Primary solvent: DMSO is the default for hydrophobic inhibitors due to broad solvency and biological compatibility at ≤0.1–0.5% v/v in final assays (verify tolerability for your system).
• Alternative solvents (as needed): DMF or ethanol can be used for initial dissolution, followed by dilution into buffer containing carrier proteins or surfactants (e.g., 0.01–0.05% Tween-20) to mitigate precipitation. Ensure cosolvent compatibility with cells/enzymes.
• Aqueous buffers: Direct dissolution into water-based buffers is often limited for lipophilic scaffolds; consider serial dilution from a DMSO stock into pre-warmed media/buffer with vigorous mixing.
• Adsorption mitigation: Use low-bind plasticware or glass vials for hydrophobic compounds; prepare fresh working dilutions to reduce loss to surfaces.

Comparison (general)

• DMSO vs ethanol: DMSO offers higher solvency and lower volatility; ethanol may be preferable when minimizing DMSO carryover, but risks precipitation on dilution. Always confirm clarity post-dilution.

Note: Verify actual solubility and stability for NLRP3-IN-18 with the CoA/Spec Sheet and pilot tests under your assay conditions.

Storage and Reconstitution

Item-specific instructions provided

• Storage Conditions: Store at -20°C.
• Shipped In: Ice chest + Ice pads.

Additional details

• Appearance, reconstitution solvent, recommended stock concentration, and stability after reconstitution: Not specified for this item; refer to CoA/Spec Sheet.

Good practice (general; not item-specific)

• Upon receipt, allow the sealed container to equilibrate to room temperature before opening to prevent condensation. If supplied as a solid, prepare small single-use DMSO aliquots (e.g., 10–50 mM) and refreeze at -20°C or below. Minimize freeze–thaw cycles.
• If supplied in solution, verify solvent system, concentration, and any stabilizers on the label/CoA; store as directed and avoid repeated warming.
• Always inspect for precipitation or discoloration before use; if observed, consult CoA/Spec Sheet or request technical support.

For definitive, lot-specific guidance, defer to the CoA/Spec Sheet.

Structure and Identity

Brief overview: NLRP3-IN-18 is listed as a small-molecule inhibitor in a screening/compound library context. Structural identifiers for this specific item are not provided in the Product Data.

• SKU: N649784
• Product Name: NLRP3-IN-18
• CAS: 2769040-06-2
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Structural features: Not specified for this item; refer to CoA/Spec Sheet.

Notes

• Without a provided structure (SMILES/InChI), a detailed 2D description (ring systems, heteroatoms, stereochemistry) cannot be given for this catalog entry. Consult the item’s CoA/Spec Sheet for definitive identity attributes and batch-specific analytical confirmation (e.g., HPLC, NMR, MS).

Synthetic Utility

NLRP3-IN-18 is positioned as a bioactive screening compound and is not intended as a building block or reagent for chemical synthesis. Accordingly, typical discussions of functional group transformations, protecting group strategies, or named-reaction participation are not applicable for this product in routine use.

If you intend to employ this scaffold for medicinal chemistry or SAR expansion, please consult the primary literature for the named chemotype associated with NLRP3-IN-18 (if available) to understand:

• Core scaffold features and diversification vectors (heterocycles, substituent handles).
• Reported synthetic routes, key coupling steps, and stereochemical considerations.
• Stability of the scaffold to common conditions (acid/base, hydrogenation, oxidation)—Not specified for this item; refer to literature and internal feasibility studies.

For synthetic reagents and building blocks optimized for preparative chemistry, explore our dedicated catalogs of halogenated aromatics, heterocycles, and coupling partners.

Target Specificity

Only information from Product Data may be included here.

• Target/Antigen details, selectivity profile, and off-target data: Not specified for this item; refer to CoA/Spec Sheet and primary literature for the named scaffold.

Note: While the product name implies activity related to NLRP3, no specificity or selectivity data are provided in this listing.