NVS-MALT1 , CAS No.2772439-62-8

CAS: 2772439-62-8 Cat. No.: N1442543 Summenformel: C₂₄H₂₇ClF₃N₅O₄S Molekulargewicht: 574.02

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

NVS-MALT1 is a MALT1 allosteric inhibitor.

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

• Molekulargewicht: 574.02

Application Protocols

No vendor-validated application protocols are provided for this item.

General research workflows (literature/practice for small-molecule tool compounds):

• Stock solution: Prepare 10–50 mM in dry DMSO; vortex and briefly sonicate if needed. Aliquot and store at −20 °C to avoid repeated freeze–thaw.
• Enzyme assay example (generic): Set up a fluorogenic substrate assay for the target protease with appropriate buffer, measure baseline activity, then dose compound in an 8–10 point dilution series. Include vehicle controls, positive control inhibitor (if available), and perform time-course to assess reversibility.
• Cell-based pathway readout (generic): Treat cells expressing the signaling pathway of interest. Maintain constant vehicle concentration. Quantify downstream markers (e.g., reporter gene, phospho-protein by Western blot) and assess viability in parallel.
• Data quality: Incorporate Z′-factor evaluation in HTS formats; use orthogonal methods (e.g., thermal shift, CETSA, target occupancy MS) to confirm engagement.

Note: These are generic protocol outlines and are not specific to this catalog item. Validate and optimize conditions empirically.

Biological Roles

Item-specific biological/biochemical function is not provided in the product data. Do not assume activity from the name alone.

Literature context (general information about the nominal target class):

• MALT1 (mucosa-associated lymphoid tissue lymphoma translocation protein 1) is a paracaspase that contributes to antigen receptor–induced signaling via the CBM (CARD11–BCL10–MALT1) complex, modulating NF‑κB activation in lymphocytes. Small-molecule modulators of MALT1 are frequently used as research tools to interrogate signaling pathways, protease function, and scaffold roles.
• Compounds labeled “MALT1 inhibitors/modulators” in the literature may act allosterically or at the active site, with divergent effects on protease versus scaffolding functions. Potency, selectivity, and mode-of-action vary by chemotype and must be verified experimentally for each specific material.

Responsible use:

• This product is for research use only (per product data). It is not intended for diagnostic, clinical, or veterinary applications. Any biological interpretation should be grounded in validated data using the actual lot supplied and appropriate positive/negative controls.

Buffer Applications

Not typically applicable. NVS‑MALT1 is a research small molecule and is not used as a buffering agent.

Practical notes for assay buffers (general guidance):

• For biochemical assays, common buffers include HEPES or Tris (pH 7.0–7.5) with 100–150 mM NaCl and 0.01–0.05% Tween‑20 or Pluronic F‑68 to reduce nonspecific adsorption and precipitation when dosing hydrophobic small molecules.
• Maintain final DMSO at the lowest effective level (often ≤0.1–0.5% v/v for cells; up to 1–2% may be acceptable in enzyme assays depending on tolerance). Validate that the buffer composition does not alter the compound’s stability or the target’s activity.
• Filter and degas buffers for HTS to minimize bubble-related artifacts in optical readouts.

Green Alternatives

Context: For bioassay reference compounds, the main sustainability levers are solvent choice, concentration strategy, and waste minimization rather than substitution of the active compound itself.

Greener practice recommendations (general):

• Minimize DMSO volume by using higher-concentration stocks and low dead-volume dispensing to reduce organic solvent use and waste.
• Prefer aqueous buffers and lower-toxicity cosolvents (e.g., ethanol) where assay compatibility permits, instead of acetonitrile or DMF.
• Adopt microscale assay formats (384–1536 well) to cut compound and solvent consumption significantly.
• Implement on-plate serial dilution to avoid multiple intermediate DMSO dilutions and pipette-tip waste.

Illustrative comparison (general):

• DMSO vs ethanol as primary solvent: DMSO offers broad solubilization and stability but is less preferred environmentally; ethanol is greener but may not dissolve hydrophobic scaffolds adequately. Use the minimal DMSO percentage necessary for solubility.

Waste handling:

• Segregate halogenated vs non-halogenated organic waste. Where feasible, choose non-halogenated solvent systems to reduce disposal impact. Always comply with institutional EHS guidance.

Pharmaceutical Uses

This product is supplied strictly for research use only and is not approved for human or veterinary use.

Relevant non-clinical contexts (general):

• May be used as a research reference standard or tool compound during early discovery screening, SAR exploration, or target validation experiments involving paracaspase-related pathways. No pharmacopeial status is indicated in the provided data.
• Formulation screening (in vitro): Solubility and stability can be probed in simple excipient systems (e.g., aqueous buffers with minimal DMSO or ethanol) to support in vitro assays. Any preclinical formulation or in vivo use is outside the scope of this listing and requires institution-specific approvals and documentation.

No therapeutic or clinical claims are made or implied. Consult institutional guidelines prior to any non-research application.

Physical Properties

Item-specific physico-chemical specifications:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Purity/Grade: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point, boiling point, density, refractive index, logP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
• UV/Vis characteristics, fluorescence, extinction coefficient: Not specified for this item; refer to CoA/Spec Sheet.

General handling observations (literature/general for small-molecule screening compounds):

• Many library compounds are solids at ambient temperature and are typically formulated as concentrated DMSO stocks (e.g., 10–50 mM) for screening. Actual solubility limits for NVS‑MALT1 are not provided—determine empirically or consult the CoA.
• If aqueous use is required, dilute DMSO stocks into buffered media while keeping final DMSO ≤0.1–0.5% v/v where biological systems are involved (general practice). Include gentle mixing to avoid precipitation.
• For analytical method development (HPLC/LC–MS), begin with a broad-gradient reverse-phase screen (e.g., C18, water/ACN with 0.1% formic acid) and optimize once the UV/ESI response is known. Retention and ionization are structure dependent; verify with a reference chromatogram when available.

Note: Do not treat these generalities as specifications. For rigorous QC or method validation, only the lot-specific CoA/SDS should be used.

Quality and Grades

Item-specific quality information:

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

How to interpret grades (general guidance):

• Screening/Library Grade: Typically intended for discovery biology and assay development; purity often ≥95% by HPLC for reliable bioassay performance, but always verify on the CoA for this specific lot.
• Analytical confirmation: Reputable lots generally include HPLC purity, a mass identity check (ESI–MS/HRMS), and occasionally NMR. If your use case demands tighter specifications (e.g., crystallography, target engagement MS), request expanded QC.
• Stabilizers: None noted in the provided data. If any stabilizer or counter-ion is present (e.g., TFA salt), it will be indicated on the CoA and may influence solubility and LC–MS behavior.

What is specific to this item:

• Storage requirement is defined (−20 °C) and cold shipment is used, consistent with materials that may be moisture/light sensitive.
• All other quality-defining parameters (purity, residual solvents, salt form, water content, assay) are not specified in the provided data and must be confirmed on the CoA/SDS before regulated or quantitative work.

Reaction and Applications

This product is a research-use small-molecule standard and is not typically employed as a synthetic reagent or catalyst.

Applicable uses (research context):

• Reference compound controls: Employed as a control material in biochemical or cell-based signal transduction assays where MALT1 pathway readouts are monitored (general literature context). The specific activity/potency of this item is not provided here and must not be inferred.
• Assay development: Useful for establishing dynamic range, signal windows, and positive/negative controls in screening cascades targeting paracaspase-associated pathways, provided the compound’s identity and activity are confirmed from the CoA and internal validation.

Not typically applicable:

• As a reactant, ligand, organocatalyst, or stoichiometric reagent in synthetic chemistry. For such purposes, choose building blocks or catalysts with defined functional groups and reactivity profiles.

Best practices:

• Verify identity and purity by orthogonal methods (e.g., HPLC–UV and LC–MS) before using as a control in HTS.
• Confirm solubility limits in your assay buffer to avoid false negatives due to precipitation.
• Track passage number and DMSO exposure for cells when used in cellular assays, and include a vehicle control.

Reaction Conditions

Not applicable as a reagent. This product is not intended for use as a substrate, catalyst, or stoichiometric reagent in chemical synthesis in its cataloged role.

Assay deployment conditions (general research guidance):

• Stock preparation: Dissolve in anhydrous DMSO under inert atmosphere if sensitivity to moisture/oxygen is suspected. Typical stock concentrations are 10–50 mM. Filter (0.22 µm PTFE) if particulates are present.
• Biochemical assays: Begin with 8–10 point dose–response (e.g., 0.3 nM–30 µM) with duplicate/triplicate wells. Maintain constant DMSO across wells. Incubation times commonly range 15–120 minutes depending on target kinetics.
• Cellular assays: Validate cytotoxicity of solvent vehicle and compound independently. Titrate to identify on-target windows and assess pathway readouts with orthogonal assays.

All numeric values here are general literature practice and not specifications for this item.

Safety and Handling

Authoritative safety information must be taken from the product’s SDS.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word / Pictograms / H-Statements: Not specified for this item; refer to SDS.
• Storage: Store at −20 °C (per product data). Keep container tightly closed, protected from light and moisture. Minimize freeze–thaw by aliquoting.
• Shipping: Shipped in ice chest with ice pads (per product data). Inspect upon receipt and return to −20 °C promptly.

General laboratory precautions (good practice for small-molecule research compounds):

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders/solids in a fume hood to avoid dust inhalation.
• Avoid ingestion, inhalation, and skin/eye contact. Prevent aerosol formation when preparing stock solutions.
• Incompatibilities: Without structural data, avoid strong oxidizers and reducing agents; keep away from sources of ignition. Do not mix with acids/bases or reactive metals unless compatibility is known.
• Spill/Exposure: For small spills, absorb with inert material and dispose per institutional protocol. On skin/eye contact, rinse with water for 15 minutes and seek medical attention as appropriate. If inhaled, move to fresh air.
• Waste: Collect unused material, solutions, and contaminated disposables as organic hazardous waste in accordance with local regulations.

Disclaimer: Because hazard classification is not provided here, treat this material as potentially harmful and consult the SDS before first use.

Solvent Selection

Applicability: As a research small molecule supplied without disclosed structure, solvent selection should prioritize robust dissolution, stability, and assay compatibility.

General guidance (literature/practice for screening compounds):

• Primary stock solvent: Anhydrous DMSO is the default choice for hydrophobic/neutral small molecules used in biological screening. Prepare concentrated stocks (e.g., 10–50 mM) and store as single-use aliquots at −20 °C.
• Cosolvent systems: For working solutions, DMSO→buffer dilutions often benefit from including 0.01–0.05% nonionic surfactant (e.g., Pluronic F‑68) to mitigate precipitation (if compatible with the assay). Alternatively, include 5–20% v/v ACN or EtOH in biochemical assays that tolerate organic content.
• Aqueous buffers: Phosphate- or HEPES-buffered saline are common vehicles for enzyme or cell assays; maintain final DMSO ≤0.1–0.5% v/v in cellular systems.
• Analytical solvents: For LC–MS, use water/ACN (or MeOH) with 0.1% formic acid (positive ESI) or 5 mM ammonium acetate (negative ESI) as a starting point. Optimize based on observed ionization.

Selection tips:

• If precipitation occurs on dilution, increase dilution rate, warm gently (≤37 °C), or raise organic content incrementally.
• Avoid basic aqueous media unless stability is verified, as many small molecules undergo base-catalyzed hydrolysis.
• Record exact solvent composition in screening databases to enable reproducibility across campaigns.

Storage and Reconstitution

Storage conditions (item-specific):

• Store at −20 °C (per product data). Shipments are provided in an ice chest with ice pads; return to appropriate cold storage upon receipt.

Reconstitution (general guidance for small-molecule research compounds):

• Solvent: Use anhydrous DMSO for initial dissolution unless the CoA specifies a preferred solvent. Start with a small volume to reach the desired stock concentration (e.g., 10–50 mM).
• Mixing: Vortex thoroughly; brief bath sonication may aid dissolution. If insoluble, warm gently to room temperature and incrementally add solvent. Do not exceed temperatures that risk degradation.
• Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) into inert, low-bind tubes to avoid adsorption and freeze–thaw.
• Stability: Without structure-specific data, assume limited stability of solutions at room temperature. Keep solutions cold and protected from light. Document preparation date and conditions.

Additional notes:

• Avoid moisture ingress by using desiccated storage and allowing vials to equilibrate to room temperature before opening to prevent condensation.
• For long-term studies, periodically re-check purity by HPLC/LC–MS.

If lot-specific guidance on solvent choice, concentration limits, or solution shelf-life is required, consult the CoA/SDS for this item.

Structure and Identity

Overview: NVS-MALT1 is supplied as a research-use small molecule standard from Aladdin’s small-molecule/compound library.

• SKU: N1442543
• Product Name: NVS-MALT1
• CAS: 2772439-62-8
• Category: Small molecules and compound libraries (research screening compound)
• 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 (general/literature context):

• The trade name “NVS‑MALT1” is widely used in the literature for small-molecule modulators designed against the human paracaspase MALT1; however, the exact structure, substitution pattern, stereochemistry, and functional groups for this catalog item are not provided here. Do not infer identity or structure from the name alone; consult the item’s CoA/SDS.

2D structure description: Not available for this item in the provided data. If structural data are needed (e.g., for docking or LC–MS method setup), request the structure or reference standard documentation from technical support.

Important note: Where structure-dependent parameters (e.g., exact mass, elemental composition) are required for your workflow, rely strictly on the item’s CoA/SDS and analytical documentation for this specific lot.

Synthetic Utility

Not typically applicable. NVS‑MALT1 is intended as a research-use small molecule/assay tool and is not provided as a synthetic building block.

Guidance for chemists (general):

• If derivatization or probe development is desired (e.g., biotinylation, photoaffinity tagging), obtain the exact structure and intellectual property status first. Then design synthetic routes that introduce linkers at SAR-tolerant positions without disrupting activity. None of these details are available in the current product data.
• For analytical derivatization (e.g., isotopic standards), request structure and purity information from the CoA/SDS before route planning.

Target Specificity

Item-specific target data are not provided in the product information.

• Stated/verified target: Not specified for this item; refer to CoA/Spec Sheet and any accompanying technical note.
• Selectivity profile (kinase/protease panels, off-targets): Not specified for this item; refer to internal validation data.

Literature context (general):

• Compounds named for MALT1 typically aim to modulate the paracaspase MALT1 involved in CBM complex signaling. Actual target engagement, Ki/IC50 values, and selectivity are chemotype- and lot-dependent and must be experimentally verified with the specific material supplied.