Nrf2 activator-12 - ≥98% , CAS No.3020661-05-3

CAS: 3020661-05-3 Cat. No.: N1448163 Formula: C₁₃H₁₀Cl₂N₂OS Peso molecolare: 313.20

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Nrf2 activator-12 (compund 10v) potently activates Nrf2 (EC50=83.5 nM) and exhibits promising pharmacological properties, reversing disease progression and alleviating demyelination in an experimental autoimmune encephalomyelitis mouse model.

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Peso molecolare

313.20

Application Protocols

Tested applications, recommended concentrations, and validated protocols are not provided for this item; refer to CoA/Spec Sheet.

No item-specific protocols are available in this listing. Users should develop and validate procedures appropriate to their assay systems, employing suitable vehicle controls and orthogonal readouts.

Biological Roles

Item intent: supplied as a research tool designated to activate the Nrf2 (NFE2L2) pathway. Specific target-binding mode and selectivity for Nrf2 activator-12 are not provided in this listing; consult CoA/Spec Sheet and primary literature if available.

Background biology (literature, not item-specific):

• Nrf2–KEAP1 axis: Under basal conditions, the E3 adaptor KEAP1 promotes ubiquitination and proteasomal degradation of Nrf2. Activation occurs when KEAP1 is inhibited or its cysteines are modified, allowing Nrf2 to accumulate, translocate to the nucleus, and heterodimerize with small Maf proteins.
• ARE-driven transcription: Nrf2 binds antioxidant response elements (ARE) to upregulate cytoprotective genes involved in redox balance, xenobiotic metabolism, glutathione biosynthesis, and proteostasis. Canonical transcriptional targets include NQO1, HMOX1 (HO-1), GCLC/GCLM, GSR, and various UGTs and GSTs.
• Activator modalities: Reported chemotypes span electrophilic Michael acceptors (e.g., targeting KEAP1 cysteines) and noncovalent KEAP1–Nrf2 PPI inhibitors that disrupt the ETGE/DLG motif binding pocket. Choice of modality affects onset, reversibility, and off-target risk.
• Assay implications: Readouts typically include ARE-reporter induction, qPCR/Western of Nrf2 targets, and functional oxidative-stress resilience assays. Counter-screens (e.g., measuring general oxidative stress, proteasome activity, or NRF2-independent reporters) help deconvolute mechanism.

Note: Use is restricted to research and laboratory investigations; no medical or clinical claims are implied.

Buffer Applications

This product is not a buffering agent and does not define a specific buffer system.

• For cell-based or biochemical assays involving Nrf2-pathway readouts, prepare buffers/media according to your assay design (e.g., PBS/HEPES-buffered media). Maintain constant vehicle concentration (e.g., %DMSO) across control and treated groups.
• Item-specific buffer compatibility or pH stability: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

This item is a bioactive tool compound, not a bulk solvent or commodity reagent; “green alternative” considerations primarily concern formulation, dispensing, and waste minimization rather than substituting the compound itself.

General greener-practice guidance (not item-specific):

• Stock solutions: Use concentrated DMSO stocks (e.g., 5–20 mM) to minimize solvent volumes shipped and handled. Prepare small aliquots to reduce freeze–thaw cycles and waste.
• Assay design: Optimize to lower final DMSO (≤0.2% v/v when feasible) without compromising solubility; this reduces solvent-related toxicity and waste.
• Analytical workflows: Prefer acetonitrile/water over chlorinated solvents for sample prep and chromatography where compatible. Employ microflow LC to cut solvent consumption.
• Waste management: Segregate halogenated from non-halogenated waste. Collect DMSO/ACN/EtOH mixtures for solvent recovery if facility supports it.
• Energy use: Store at manufacturer-recommended conditions; avoid unnecessary deep-freeze storage if stability at 2–8°C is verified on the CoA (for this item, 2–8°C storage is specified).

If your project allows alternative chemotypes to modulate the same biology, consider non-electrophilic Nrf2 activators (reported in literature) to reduce potential covalent off-target liabilities; trade-offs include potency and permeability. Selection should be guided by your assay requirements and safety assessment.

Pharmaceutical Uses

No excipient or pharmacopeial status is specified for this item; it is supplied strictly for research use.

General, non-clinical contexts where such compounds may be used (not item-specific):

• Reference standard / system suitability: As an internal control for bioanalytical or cell-based assay qualification related to Nrf2-pathway activation (method development only).
• Pre-formulation research: Solubility/permeability screening and stability studies to inform SAR and discovery chemistry; not intended for human or veterinary use.
• In vitro ADME tool: May serve as a tool compound for transporter or metabolic liability comparisons within a chemical series.

No therapeutic, diagnostic, or clinical manufacturing claims are made or implied for this product.

Physical Properties

Item-specific physicochemical parameters have not been provided for this catalog entry.

• Appearance (solid/oil/color): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (g/mol): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density / refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General handling note (literature, not item-specific): Screening-library small molecules are commonly formulated as DMSO stock solutions due to broad solubilizing capacity. If solubility or stability limits are unknown, a tiered approach (e.g., trial dissolution at 1–10 mM in anhydrous DMSO, visual inspection, then QC by LC–UV/MS) is recommended. For aqueous assays, serial dilution into buffered media with 0.1–1% final DMSO is typical; include appropriate vehicle controls. Definitive physical specifications for this item must be confirmed on the CoA/Spec Sheet.

Quality and Grades

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

Context for this catalog type (general):

• Screening-library small molecules are typically supplied at research grade with identity confirmed by at least one orthogonal method (e.g., LC–MS, 1H NMR) and assay purity by HPLC/UPLC. Exact test methods, thresholds, and acceptance criteria vary by product—defer to the item’s CoA/Spec Sheet.
• When using compounds as bioactive tool molecules, consider verifying identity/purity locally (e.g., LC–MS, qNMR) if your application is sensitive to trace impurities or degradation products.
• If stabilizers, counterions, or specific salt forms are present, they will be listed on the CoA. Absence of such details here means they are not specified for this item.

Practical recommendations (general, not item-specific):

• Record lot numbers and retain CoAs in ELNs to ensure data traceability across screens.
• For quantitative biology or analytical reference purposes, request an updated CoA to confirm current lot specifications (purity, residual solvents, water content, form, and potency if applicable).

Reaction and Applications

This product is a bioactive research tool and is not typically used as a reagent or catalyst in synthetic organic transformations.

• Item-specific synthetic reactivity: Not applicable/not specified for this item.

General research applications (literature, not item-specific):

• Pathway interrogation: Employed in cell-based assays to modulate the Nrf2–KEAP1–ARE axis, enabling studies of antioxidant/stress-response transcriptional programs.
• Reporter assays: Quantification of ARE-driven luciferase or GFP reporters to measure pathway activation potency and kinetics.
• Target engagement: Thermal shift (CETSA) or target occupancy assays for KEAP1/Nrf2 pathway components (where applicable to chemotype).
• Downstream readouts: mRNA/protein induction of canonical Nrf2 targets (e.g., NQO1, GCLC, HMOX1/HO-1) by RT-qPCR or Western blot as pharmacodynamic markers.
• Phenotypic profiling: High-content imaging or transcriptomic profiling to map on-/off-pathway effects and concentration windows.

Practical tips (general):

• Verify stock concentration by UV or qNMR when possible; include vehicle controls at matched %DMSO.
• Perform concentration–response curves (e.g., 10-point, 1:3 serial dilutions) to estimate EC50 and window to cytotoxicity (parallel cell-viability assay recommended).
• Consider time-course experiments; many Nrf2 responses peak within 4–24 h depending on chemotype and cell line.

Reaction Conditions

Not applicable for this catalog entry. Nrf2 activator-12 is provided as a research tool compound and is not intended as a reagent for named synthetic reactions.

• Item-specific catalytic or reagent roles: Not specified for this item.

For experimental use in biology, see general considerations under Reaction & Applications and Biological Roles. Any cell-based dosing conditions, exposure times, or media additives should be established empirically and validated for your model system. Product-specific tested conditions are not provided in this listing.

Safety and Handling

Item-specific hazard classification has not been supplied for this product.

• Signal word / H-statements / GHS class / pictograms: Not specified for this item; refer to SDS.
• Primary guidance: Handle in a chemical fume hood. Avoid inhalation, ingestion, and skin/eye contact. For research use only.
• PPE: Laboratory coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Consider double-gloving when handling DMSO solutions due to enhanced dermal penetration potential (general best practice).
• Storage incompatibilities (general): Segregate from strong oxidizers and acids/bases unless compatibility is known. Avoid reactive nucleophiles or reductants if the compound belongs to electrophilic Nrf2-activator chemotypes (literature, not item-specific).
• Spill/accidental release (general): Absorb small spills with inert material, collect in labeled waste. Decontaminate surfaces with suitable solvent/detergent; avoid generating aerosols.
• First-aid overview (general): Eye/skin contact—rinse with water for ≥15 min, remove contaminated clothing, seek medical attention if irritation persists. Inhalation—move to fresh air, support breathing as needed. Ingestion—rinse mouth, seek medical advice; do not induce vomiting unless instructed by medical personnel.

Always consult the product-specific SDS for authoritative hazard information and recommended controls; the above points are general laboratory safety practices for organic research chemicals.

Solvent Selection

Item-specific solubility data are not provided; choose solvents empirically and verify by analytical QC.

General recommendations for small-molecule Nrf2-pathway tools (literature/practice, not item-specific):

• Primary stock solvent: Anhydrous DMSO is the default for many screening compounds due to high solvency and compatibility with aqueous dilution.
• Secondary solvents (if DMSO limited): DMF, ethanol, or acetonitrile can assist dissolution; co-solvent strategies (DMSO + ACN/EtOH) may help at higher concentrations.
• Aqueous work: Dilute DMSO stocks into assay buffers or cell culture media to a final DMSO of 0.1–0.5% (up to 1% if cells tolerate). Include vehicle controls.

Useful solvent properties (literature):

• DMSO: Polar aprotic; completely miscible with water and most organics; dielectric constant ~47; strong hydrogen-bond acceptor. Excellent for cryostable microstocks.
• Ethanol: Protic, miscible with water; may impact membrane integrity above ~1–2% v/v in cell assays.
• Acetonitrile: Polar aprotic; miscible with water; low UV cutoff advantageous for LC–UV.

When to choose alternatives:

• Prefer DMSO for high-concentration stocks and broad compatibility.
• Use EtOH when DMSO-sensitive assay components are present.
• Use ACN for LC–MS sample prep when volatility and low background are critical.

Always confirm clarity after dilution and monitor for precipitation over time.

Storage and Reconstitution

Item-specific storage and shipping:

• Storage conditions (as provided): Store at 2–8°C.
• Shipped in: Wet ice.

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

General guidance (literature/practice, not item-specific):

• Prepare concentrated stocks in anhydrous DMSO when compatible. Filter-sterilize if needed (PTFE/NYLON) and aliquot to minimize freeze–thaw.
• For short-term working stocks, 2–8°C is often acceptable; for long-term storage, many small molecules are kept at −20°C or −80°C as DMSO aliquots to limit hydrolysis/oxidation—only if supported by stability data for the specific item.
• Protect from light and moisture unless stability data indicate insensitivity. Use inert atmosphere for known air-sensitive chemotypes.
• Label aliquots with lot number, concentration, date prepared, and solvent. Periodically re-verify potency/identity by LC–MS or bioassay in long studies.

Always defer to the product’s CoA/Spec Sheet and SDS for definitive storage and handling instructions.

Structure and Identity

A designated small-molecule tool compound for modulating the Nrf2 pathway in research settings.

• Product Name (catalog): Nrf2 activator-12 (SKU: N1448163)
• CAS: 3020661-05-3
• Category: Small molecules and compound libraries (研究/筛选用途)
• 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 / InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry / functional groups: Not specified for this item; refer to CoA/Spec Sheet.

General structural context (literature, not item-specific): Many Nrf2-pathway activators belong to chemotypes that modulate KEAP1–Nrf2 signaling, frequently via covalent or noncovalent interaction with KEAP1. Examples reported in literature include electrophilic Michael acceptors, isothiocyanates, dithiolethiones, and optimized noncovalent KEAP1–Nrf2 PPI inhibitors. The precise structural class of Nrf2 activator-12 is not provided here; consult the product CoA/Spec Sheet for definitive identity and structural descriptors.

Synthetic Utility

Not typically applicable. This product is positioned as a bioactive small-molecule tool rather than a synthetic building block or reagent.

• Item-specific functional groups/reactivity for synthesis: Not specified for this item; refer to CoA/Spec Sheet if synthetic derivatization is contemplated.

General note (not item-specific): If analog synthesis is planned, obtain the full structural information and assess reactive moieties before attempting modifications or conjugations. Employ standard route-scouting with attention to chemotype stability (e.g., if electrophilic handles are present in some Nrf2 activators, protect from nucleophiles/reductants during workup).

Target Specificity

• Item-specific target, binding mode, and selectivity profile: Not specified for this item; refer to CoA/Spec Sheet.

Note: While the catalog name designates this molecule as an “Nrf2 activator,” definitive target specificity, whether covalent or noncovalent, and any off-target profiling are not included here and should be confirmed from lot-specific documentation or primary literature.