α-Synuclein inhibitor 7 , CAS No.2489813-04-7

CAS: 2489813-04-7 Cat. No.: S1450952 Formula: C₂₀H₁₄F₂N₂O₅ Peso molecolare: 400.33

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

α-Synuclein inhibitor 7 (compound 3gf) is a potent and BBB-penetrated inhibitor of α-Synuclein (α-Syn) aggregation, with an IC 50 of 1.95 μM and inhibition ratio at 30 μM of 85.8%.

Specifications

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.

Nomi e identificatori

Peso molecolare

400.33

Application Protocols

No manufacturer-tested application protocols, recommended concentrations, or assay formats are provided for this SKU.

• Tested applications: Not specified for this item.
• Recommended working ranges: Not specified for this item.

Please consult peer-reviewed literature for α‑synuclein aggregation assays and validate conditions (stock solvent, dose range, time course, and readouts) for your specific biological system.

Biological Roles

Context (literature/general):

• α‑Synuclein (α‑Syn): A neuronal protein enriched at presynaptic terminals. It participates in synaptic vesicle trafficking and membrane interactions. Misfolding and aggregation into oligomers/fibrils are widely studied in the context of proteostasis and neurobiology.
• Small-molecule modulators: Compounds termed “α‑synuclein inhibitors” are typically investigated for their ability to alter the kinetics of α‑Syn aggregation, stabilize non-aggregating conformers, or interfere with inter-molecular contacts. Tools in this class are valuable for dissecting mechanisms of nucleation, elongation, secondary seeding, and membrane-associated aggregation in vitro and in cells.
• Assay readouts (examples): Thioflavin T (ThT) fluorescence, circular dichroism (CD) for secondary structure, transmission electron microscopy for fibril morphology, and cellular viability or reporter assays to evaluate pathway-level effects. These are common methods in the literature and are not specific to this item.

Item-specific statement:

• No binding constants, selectivity data, or cellular targets beyond the nominal description “α‑Synuclein inhibitor 7” are provided for this SKU. Users should consult the CoA/Spec Sheet and primary literature for compound-specific mechanistic details and recommended assay windows.

Buffer Applications

This product is a bioactive small molecule rather than a buffering agent. Consequently, it is not typically used to prepare buffer systems.

Practical note (general):

• In biochemical assays involving α‑synuclein, common buffers include PBS, HEPES, or Tris with defined ionic strength and pH 7.0–7.5, often supplemented with NaCl and, when relevant, crowding agents. The choice of buffer can influence α‑Syn aggregation kinetics; optimize empirically.

Item-specific buffer formulations or compatibility are not provided for this SKU; consult primary literature and validate for your workflow.

Green Alternatives

As a bioactive small molecule (not a process solvent), “green alternative” considerations primarily concern solvent choices for preparation and assay workflows rather than substituting the compound itself.

General guidance (not item-specific):

• Stock solvent choices: If feasible, prefer ethanol or water–cosolvent systems over high-toxicity aprotics. Recognize the tradeoff that many hydrophobic inhibitors require DMSO for sufficient solubility.
• Assay diluents: Use buffered saline systems (PBS, HEPES, Tris) with minimal DMSO (≤0.1–0.5% v/v where tolerated) to reduce solvent burden.
• Workup and cleaning: Favor water/ethanol for cleaning assay plates and tools; avoid chlorinated solvents.

Illustrative comparison (general):

• DMSO: excellent solvency, low volatility; moderate environmental impact; commonly required for hydrophobic ligands.
• Ethanol: renewable feedstock, better EHS profile; lower solvency for many aromatic inhibitors.
• 2‑propanol: greener than many aprotics; intermediate solvency.

Waste minimization:

• Prepare concentrated stocks to minimize solvent volume; aliquot to reduce freeze–thaw cycles and discard rates.

These are general, literature-based greener chemistry practices for handling small-molecule tools and are not specific to this item’s physicochemical profile.

Pharmaceutical Uses

No pharmacopeial status or excipient/CMC role is provided for this item.

Acceptable scope for this research product:

• Research use only: As stated by the manufacturer, this product is for laboratory research use and not for human or veterinary applications.
• Drug discovery workflows (general): Such compounds may be used as reference tools or screening hits/leads in discovery platforms, assay development, and mechanistic studies related to α‑synuclein biology. Any use in regulated development would require comprehensive qualification not provided here.

Item-specific regulatory or formulation data: Not specified for this item; refer to CoA/Spec Sheet.

No medical or clinical claims are made or implied.

Physical Properties

Item-specific physicochemical parameters are not provided.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not applicable/unknown; small-molecule inhibitors are typically isolated as solids (general context, not item-specific).
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / cLogP: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable to solids; not specified for this item.

General chemistry context (literature/generic):

• Many bioactive small molecules for protein–protein interaction studies are sparingly water-soluble and commonly prepared as DMSO stock solutions for biochemical assays. Actual solubility and stability are compound-specific and must be verified experimentally for this SKU.

Notes:

• Where precise numerical specifications are needed for method development, please consult the CoA/Spec Sheet or request detailed QC data for this lot.

Quality and Grades

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

Context and expectations:

• For bioactive small molecules used in mechanistic biology or screening, suppliers typically control identity (NMR/HRMS), purity (HPLC/UPLC area %), and, where relevant, residual solvent and water content. Because item-specific criteria are not listed here, consult the CoA/Spec Sheet for the definitive test panel applicable to this SKU/lot.
• If provided as a powder or film, purity is often reported as chromatographic area percent. Trace metals and spectral cutoffs are generally not critical unless the compound is used in photophysical studies; no such specifications are provided for this item.

Stabilizers and counter-ions:

• Stabilizer/antioxidant: Not specified for this item; refer to CoA/Spec Sheet.
• Salt form: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance:

• Verify the lot-specific purity and identity before critical experiments (e.g., binding, aggregation, or kinetic assays). If your workflow is sensitive to residual solvents or form (free base vs. salt), request detailed characterization data ahead of time.

Reaction and Applications

This product is positioned as a bioactive research tool rather than a synthetic reagent; thus, it is not typically used to mediate organic reactions.

Relevant research applications (general, not item-specific):

• α‑Synuclein aggregation studies: Small-molecule inhibitors are used in in vitro fibrillization assays (e.g., ThT fluorescence) to quantify effects on nucleation/elongation kinetics.
• Protein–ligand biophysics: Surface plasmon resonance (SPR), microscale thermophoresis (MST), NMR CSP, or thermal shift assays may be applied to assess binding. Conditions are compound- and protein-dependent; no item-specific parameters are provided here.
• Cell-based readouts: Reporter assays or high-content imaging can assess cellular phenotypes associated with aggregation pathways. Final solvent percentages and dosing schedules should be optimized empirically.

Note: No manufacturer-provided application details are available for this SKU; users should design experiments based on peer-reviewed protocols for α‑synuclein modulators and validate concentrations and exposure times for their system.

Reaction Conditions

Not applicable. This product is not described as a reagent for chemical synthesis, and no reaction condition data are provided for this SKU.

Guidance:

• If derivatization or conjugation is contemplated for probe development, first obtain the structure and functional group information (CoA/Spec Sheet) and consult the literature for analogous scaffolds. Without item-specific structural data, no responsible recommendation on solvents, bases/acids, catalysts, or temperatures can be made.

Safety and Handling

Safety details specific to this item are limited in the provided data. Always consult the SDS for authoritative guidance.

Item-specific information:

• Storage conditions: Store at −20°C (per Product Data).
• Shipping: Ice chest + ice pads (cold chain).
• GHS classification / pictograms / signal word / H‑statements: Not specified for this item; refer to SDS.

General laboratory handling (good practice; not item-specific):

• PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves. Work in a fume hood when handling powders/solutions to avoid inhalation or aerosol exposure.
• Avoid: Ingestion, skin/eye contact, and inhalation of dust or vapors. Prevent exposure to strong oxidizers or reactive reagents until compatibility is known.
• First aid (overview): If skin or eye contact occurs, rinse with water for ≥15 minutes and seek medical attention. If inhaled, move to fresh air. If ingested, do not induce vomiting; seek medical attention. Follow SDS instructions.
• Waste: Collect solutions/solids as hazardous chemical waste. Do not discharge to drains.
• Special risks: Bioactive small molecules may have unknown toxicological profiles. Handle under the assumption of potential acute toxicity. Avoid repeated exposure and prepare small quantities of working solutions.

Always defer to the current SDS and institutional EHS policies for risk assessment and controls.

Solvent Selection

Item-specific solubility data are not provided. The following guidance is general for small-molecule inhibitors and should be validated experimentally for this SKU.

• Typical stock preparation (general): Bioactive small molecules are commonly dissolved in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM), then diluted into assay buffers with care to keep final DMSO ≤0.1–1% v/v, depending on biological tolerance. This is general practice and not item-specific.
• Polarity class (general): Such inhibitors often contain aromatic/heteroaromatic motifs with moderate lipophilicity; DMSO, DMF, acetonitrile, or ethanol are frequent solvents for screening solutions. Actual compatibility for this item is unknown without CoA/solubility data.
• Aqueous buffers: Direct water solubility may be limited. If aqueous stocks are needed, co-solvent approaches (DMSO into buffer), pH adjustment, or cyclodextrin carriers are typical strategies (general guidance only).
• Analytical sample prep: For LC–MS assay analytics, DMSO/MeOH or ACN mixtures are routine. Filter or centrifuge to remove particulates prior to injection.

Comparison (general considerations):

• DMSO vs. ethanol: DMSO offers broad solubility and stability; ethanol may be preferable for enzyme assays sensitive to DMSO but supports lower solubility.
• ACN vs. DMF: ACN is volatile and LC-friendly; DMF offers higher solvating power but is less volatile and more hygroscopic.

Always confirm solvent compatibility and solubility experimentally for this item.

Storage and Reconstitution

Item-specific storage and logistics:

• Storage conditions (as supplied): Store at −20°C (per Product Data).
• Shipping: Ice chest + ice pads (cold chain).

Reconstitution and handling:

• Reconstitution solvent/concentration: Not specified for this item; refer to CoA/Spec Sheet.
• Aliquoting: Not specified for this item; general best practice is to aliquot to minimize freeze–thaw, but this is not item-specific guidance.
• Stability after reconstitution: Not specified for this item; refer to CoA/Spec Sheet.

General notes (non-binding guidance):

• Allow vial to equilibrate to room temperature in a desiccated environment before opening to avoid condensation. Record preparation details (solvent, concentration, date) on the vial.

For definitive instructions on reconstitution solvent, stock stability, and shelf life, consult the lot-specific CoA/Spec Sheet and SDS.

Structure and Identity

Brief overview: α-Synuclein inhibitor 7 is listed as a small-molecule research tool for studies involving α-synuclein biology. Item-specific structural identifiers are not provided for this SKU.

• Product name (catalog): α-Synuclein inhibitor 7 (SKU: S1450952)
• CAS: 2489813-04-7 (item-specific)
• 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.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.
• Structural features (general note): Specific functional groups, ring systems, and stereochemistry are not provided for this item. Many reported α‑synuclein aggregation modulators in the literature are heteroaromatic, polycyclic, or privileged scaffolds capable of π–π and H‑bond interactions with amyloidogenic sequences; however, this is general context only and not specific to this catalog item.
• 2D structure (description): Not specified for this item; refer to CoA/Spec Sheet.

Data boundaries:

• The above distinguishes item-specific data (SKU, CAS, storage) from general literature context. For definitive identity confirmation (MW, formula, SMILES, InChIKey), consult the product’s CoA/Spec Sheet.

Synthetic Utility

This SKU is supplied as a bioactive small-molecule tool and is not positioned as a synthetic building block or reagent.

• As a reagent: No manufacturer information suggests use in catalysis, functional group transformations, or as a coupling partner.
• As a building block: Without structural disclosure (SMILES/formula not provided), there is no basis to discuss derivatization or protecting-group strategies specific to this molecule.

For synthetic chemistry needs, consider dedicated building blocks or reagents where reactivity and compatibility are well characterized.

Target Specificity

Only item name suggests activity related to α‑synuclein; no specificity data are provided.

• Primary target: Not specified for this item; refer to CoA/Spec Sheet.
• Binding site/epitope: Not applicable; small molecule. Not specified for this item.
• Selectivity profile: Not specified for this item; refer to literature if this CAS has been reported.
• Off-targets/counter-screens: Not specified for this item.

Users should verify target engagement using orthogonal assays (e.g., biophysical binding and functional aggregation assays) appropriate to their system.