β-catenin-IN-3 - ≥98% , CAS No.1005288-15-2

CAS: 1005288-15-2 Cat. No.: C1426565 Formula: C₁₉H₂₀Br₂N₂OS Peso molecolare: 484.25

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

β-catenin-IN-3 (Compound C2) is a selective β-catenin inhibitor. β-catenin-IN-3 binds to allosteric site on the surface of β-catenin with K D calculated at 54.96 nM. β-catenin-IN-3 selectively inhibits β-catenin via targeting a cryptic allosteric modulation site, lowers its cellular load. β-catenin-IN-3 significantly reduces viability of β-catenin driven cancer cells, and triggers β-catenin degradation via proteasome system in β-catenin-overexpressing cancer cells.

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Nomi e identificatori

Peso molecolare

484.25

Application Protocols

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

General best practices for small-molecule pathway probes (informational only):

• Stock preparation: Dissolve in DMSO to prepare a concentrated stock (e.g., 10–50 mM as solubility permits). Filter sterilize only if compatible with compound stability and adsorption.
• Working solutions: Dilute into pre-warmed assay media with thorough mixing; maintain consistent vehicle concentration across treatments (commonly ≤0.1–0.5% v/v DMSO in cell assays).
• Exposure: Titrate over a broad range (e.g., 8–10 serial 3-fold dilutions) to establish potency windows and cytotoxicity thresholds in your model system.
• Controls: Include vehicle controls, positive/negative pathway controls, and, where possible, orthogonal readouts to validate on-target effects.
• Light protection: Use amberware or low-light conditions during handling and incubation due to indicated light sensitivity.

Note: These are general guidelines for small-molecule inhibitors and are not item-specific instructions. Optimize conditions empirically for your assay and confirm compatibility with your cell type and readout.

Biological Roles

Context (literature/general):

• β-Catenin is a central effector of canonical Wnt signaling, functioning in transcriptional co-activation with TCF/LEF factors and in cadherin-mediated cell adhesion. Chemical probes that inhibit β-catenin signaling are widely used to dissect pathway dynamics, transcriptional programs, and feedback regulation.

How β-catenin-IN-3 may be applied (general, no clinical claims):

• As a pathway modulator for basic research, enabling temporal control of β-catenin–dependent transcription in cell lines and primary cultures.
• To compare pathway states across experimental conditions by monitoring canonical target genes (e.g., AXIN2, MYC, CCND1) and β-catenin nuclear localization.
• In systems biology studies to calibrate Wnt pathway models, dose–response behaviors, and gene-network sensitivity to β-catenin perturbation.

Selectivity considerations (general):

• Small-molecule β-catenin modulators can act by disrupting β-catenin/TCF interactions, affecting β-catenin stability, or influencing upstream Wnt components. Off-target effects are probe-dependent; orthogonal validation (genetic controls, chemotype diversity) is recommended.

Good practice:

• Use vehicle controls and concentration ranges spanning sub-effective to saturating levels to define dynamic windows.
• Confirm effects via multiple orthogonal readouts (reporter assays, target gene expression, β-catenin localization), and monitor cell health to distinguish specific pathway modulation from general cytotoxicity.

Buffer Applications

This product is a small-molecule research probe and is not a buffering agent. There are no specific buffer preparation roles for this compound.

Practical note (general):

• When dosing into biological buffers (e.g., PBS, HBSS, culture media), pre-dissolve the compound in a suitable co-solvent (commonly DMSO) and add slowly with mixing to minimize precipitation. Validate stability and solubility in the final buffer system at working concentrations.

Green Alternatives

Green chemistry is typically discussed for bulk solvents and reagents. As a specialized research probe used at micromolar levels, β-catenin-IN-3 has limited “green alternative” options. Nevertheless, the following practices can reduce environmental impact:

• Prefer greener solvents for formulation where compatible with assay performance:
  • Replace DMF/NMP with DMSO or ethanol/water cosolvent systems when solubility allows.
  • Use buffered aqueous media with minimal DMSO (≤0.1–0.5%) after validating solubility and stability.
• Minimize waste:
  • Prepare small-volume, high-concentration stocks to avoid disposal of unused working solutions.
  • Adopt miniaturized assay formats (96/384/1536-well) to reduce solvent and compound use.
• Procurement & storage:
  • Order quantities aligned with near-term experimental needs to limit expiry-related disposal.
• Comparative overview (general):
  • DMF (problematic) vs DMSO (preferable): DMSO has lower toxicity classification and better biodegradability profile relative to DMF; however, ensure compound stability in DMSO.
  • NMP (problematic) vs ethanol/water cosolvent: Ethanol/water mixtures are greener but may limit achievable concentration and can affect cell physiology; validate empirically.

Given the product’s light sensitivity and inert-atmosphere packaging, maintain those controls while implementing greener solvent choices to avoid compromising data quality.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item. It is supplied strictly for research use only.

General research-use contexts (no therapeutic claims):

• Reference standard or control compound in discovery assays aimed at Wnt/β-catenin pathway biology.
• Tool compound for preclinical, in vitro mechanism-of-action studies and for benchmarking structure–activity relationships (SAR) in medicinal chemistry campaigns.
• Potential inclusion in screening decks or annotated probe libraries to provide pathway coverage.

Formulation considerations for research models (general):

• In vitro: DMSO stock solutions serially diluted into assay media; maintain vehicle control parity across treatments.
• In vivo or ex vivo use is not supported by product data; if explored in research settings, rigorous formulation, stability, and exposure characterization are required and remain the responsibility of the investigator.

Regulatory note:

• For laboratory research use only. Not for human or veterinary use, diagnostic procedures, or clinical applications.

Physical Properties

Item-specific physicochemical data have not been provided for this catalog entry. Where values are absent, consult the CoA/Spec Sheet or SDS.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: 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 specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable/Not specified for solids; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• UV/Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule inhibitors (literature/general):

• Many β-catenin pathway probes are DMSO-soluble and sparingly water-soluble; confirm experimentally for this lot.
• If solid, gentle warming (≤40 °C) and sonication can aid dissolution in DMSO or other polar aprotic solvents; avoid prolonged heat/light.
• Light sensitivity is indicated for this item; handle under reduced light exposure.

Quality and Grades

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

Interpretation and guidance (general):

• Research-use small molecules are typically supplied at high chemical purity to support screening and mechanistic studies. Verify assay suitability by reviewing chromatographic purity, identity (NMR/HRMS), and residual solvent levels on the CoA.
• If HPLC purity is reported on the CoA, note the detection wavelength and method, as aromatic inhibitors can exhibit wavelength-dependent purity readouts.
• For light-sensitive materials (as indicated here), low-UV-absorbance solvents and amber vials are recommended during analytical assessment.
• If a salt form or solvate is used, confirm the counterion/stoichiometry on the CoA to calculate accurate molar concentrations.
• Batch consistency: For biological screening, document lot numbers, purity, and analytical data to ensure reproducibility, especially across SAR campaigns.

Reaction and Applications

This product is intended as a research probe rather than a synthetic reagent. No manufacturer reaction applications are provided.

Research applications (literature/general for β-catenin pathway probes):

• Chemical biology: Interrogation of Wnt/β-catenin signaling by modulating β-catenin–dependent transcription. Often used alongside reporter assays (e.g., TCF/LEF luciferase) and target gene expression analyses.
• Target validation: Comparative studies with genetic perturbations (e.g., siRNA/CRISPR to CTNNB1 or TCF7L2) to confirm pathway dependence.
• Screening and SAR: Benchmarking potency/selectivity of new analogs against a reference β-catenin pathway inhibitor.

Practical considerations:

• Prepare concentrated DMSO stocks; keep DMSO content in cell assays typically ≤0.1–0.5% v/v (general guidance; optimize per system).
• Include vehicle controls and, where applicable, orthogonal readouts (reporter activity, qPCR of canonical targets, and β-catenin localization by IF) to reduce assay artifacts.
• Light protection is recommended during handling and incubation steps. Assess stability over the assay window by LC/UV if possible.

Note: Do not use as a catalyst/reagent in synthetic transformations; for synthetic chemistry guidance see the Synthetic Utility section.

Reaction Conditions

Not applicable. β-catenin-IN-3 is not supplied as a reagent or catalyst for chemical synthesis, and no reaction condition data are provided.

General laboratory handling (for solution preparation):

• Prepare stock solutions in an appropriate solvent (commonly DMSO for small-molecule probes), protecting from light per storage guidance.
• Avoid elevated temperatures and prolonged exposure to air/moisture if the compound is air- or light-sensitive (this item is supplied argon charged and light-protected).

For users seeking to derivatize the compound, consult the structural data and develop conditions specific to its functional groups; no generic reaction recommendations can be made without the disclosed structure.

Safety and Handling

Safety data specific to this item have not been provided. Always consult the SDS for authoritative information.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / hazard statements / pictograms: Not specified for this item; refer to SDS.
• Primary risks (general for small organic molecules): May cause irritation to skin, eyes, or respiratory tract; avoid inhalation of dust/aerosols and contact with skin or eyes.
• PPE: Use lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle in a fume hood to minimize inhalation exposure.
• Handling: Keep container tightly closed under inert atmosphere as supplied (argon charged). Minimize exposure to light per storage instructions. Open only in a dry, well-ventilated environment.
• Incompatibilities (general): Strong oxidizers and strong acids/bases may be incompatible with many organic inhibitors; segregate until specific compatibility is confirmed via SDS.
• First aid (overview):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: Rinse cautiously with water for several minutes; remove contaminated clothing; seek medical advice if irritation continues.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
• Spill response: Avoid dust formation; absorb with inert material; collect for disposal per institutional and local regulations.
• Waste: Dispose of as organic chemical waste in accordance with local regulations and institutional policy.

Solvent Selection

Item-specific solubility has not been provided; verify experimentally. The following are general considerations for small-molecule pathway inhibitors.

• Likely solvent classes for stock solutions (general):
  • Polar aprotic: DMSO (typical for 10–50 mM stocks), DMF, NMP.
  • Alcohols: MeOH, EtOH as co-solvents for aqueous dosing solutions.
  • Aqueous vehicles: Buffered saline with co-solvent (e.g., 0.1–1% DMSO) after pre-dissolution in DMSO; confirm stability and absence of precipitation.
• Polarity/miscibility (general): DMSO and DMF are fully miscible with water and many organics, facilitating serial dilutions for in vitro assays.
• Practical tips:
  • Prepare concentrated DMSO stocks, then dilute into assay media with vigorous mixing to avoid local supersaturation and precipitation.
  • Filter sterilize working solutions only if supported by compound stability; avoid adsorption losses by using low-binding filters and polypropylene labware.
  • Monitor for light-induced degradation given the product’s “protect from light” requirement.

Comparison (general):

• DMSO vs DMF: DMSO is broadly preferred for bioassays due to lower volatility and better biocompatibility at ≤0.5–1% v/v; DMF is more hygroscopic and often avoided in live-cell assays.
• Aqueous-only vehicles are generally unsuitable unless the compound is explicitly water-soluble; verify on small scale first.

Storage and Reconstitution

Provided item-specific storage/handling:

• Storage conditions: Protect from light; store at −20 °C; argon charged.
• Shipping: Ice chest with ice pads (cold shipment).

Reconstitution and aliquoting (general guidance for small-molecule probes; not item-specific):

• Allow vial to equilibrate to room temperature in the dark before opening to minimize moisture condensation.
• If supplied as a solid, prepare a concentrated stock solution (commonly in anhydrous DMSO). If supplied as a solution, verify solvent and concentration on the label/CoA.
• Aliquot stock solutions into amber, airtight microtubes under inert gas if possible to reduce freeze–thaw and oxidative degradation.
• Store aliquots at −20 °C (or as otherwise specified on the label). Avoid repeated freeze–thaw cycles; thaw only the volume needed for immediate use.
• Inspect for precipitation or discoloration prior to use; discard if significant changes are observed or if outside labeled retest/expiry.

Stability notes:

• Light sensitivity is indicated; minimize light exposure during handling and storage.
• Item-specific shelf life and solution stability: Not specified for this item; refer to CoA/Spec Sheet.

Research use only: Not for human or veterinary use.

Structure and Identity

Brief overview: β-catenin-IN-3 is a research-grade, small-molecule probe supplied for studies of Wnt/β-catenin signaling in chemical biology and screening contexts.

• SKU: C1426565
• Product name: β-catenin-IN-3
• CAS: 1005288-15-2
• Category: Small molecule/compound library (research use)
• 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/functional class (literature/general): β-catenin pathway inhibitor; commonly used as a chemical probe to interrogate β-catenin–dependent transcription.

Structural features (general, literature):

• Expected to be an aromatic, heteroatom-containing small molecule typical of transcription-factor–interface modulators; exact ring systems and functional groups are not specified for this item.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

2D structure description:

• Not provided for this item. For precise structural interpretation, consult the Certificate of Analysis (CoA), Structure Data File (SDF), or the Spec Sheet if available.

Synthetic Utility

This product is intended as a biological probe rather than a synthetic building block or reagent.

General guidance:

• Without the disclosed structure, there is no defined functional-group handle to recommend for downstream derivatization or conjugation.
• If analog generation or tagging is desired (e.g., biotinylation, photoaffinity probes), obtain the detailed structure and assess feasible modification vectors away from the presumed β-catenin/TCF interaction interface, preserving activity.
• For analytical method development, standard small-molecule workflows (reverse-phase LC, MS detection) are typically suitable; confirm ionization behavior (ESI±) once the structure is known from the Spec Sheet/CoA.

If your intent is synthetic elaboration or scaffold hopping:

• Request structural documents (SDF/molfile) and any available SAR notes.
• Map potential liabilities (oxidation-prone moieties, hydrolysis-sensitive linkages) before planning late-stage functionalization or linker installation.

Target Specificity

Item-specific target profiling, potency, and selectivity data are not provided.

Literature/general context for naming convention:

• The name “β-catenin-IN-3” indicates use as an inhibitor in the β-catenin signaling axis. Many such probes aim to interfere with β-catenin–mediated transcription (e.g., via TCF/LEF interaction) or to modulate upstream regulators of β-catenin stability. Exact molecular target(s), binding mode, and potency values are probe-dependent and must be confirmed for this specific item via the CoA/Spec Sheet or primary literature.

Recommendations:

• Validate pathway engagement using multiple orthogonal assays (reporter activity, nuclear localization, and target-gene expression) across a concentration range.
• Where possible, benchmark against additional chemotypes and genetic controls to assess specificity and off-target liabilities.
• If target deconvolution is required, consider CETSA/TPP, pull-downs with functionalized analogs, or CRISPR-based modifier screens—developed specifically for this compound once structural information is available.