MSC-1254 , CAS No.M1453872

CAS: M1453872 Cat. No.: M1453872 Fórmula: C₂₅H₂₂F₂N₄O₄S Peso molecular: 512.53

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MSC-1254 is a reversible, selective and covalent TEAD1 inhibitor. MSC-1254 can be used for the study of cancer.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Peso molecular: 512.53

Application Protocols

No validated or tested application protocols are provided for MSC-1254 in the Product Data.

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

• General workflows for small-molecule screening (not item-specific):

  • Stock preparation: Prepare a 10–50 mM DMSO stock (if soluble); vortex and sonicate briefly. Filter through 0.22 µm PTFE if particulate persists. Verify concentration by weight/volume and, if necessary, by UV or quantitative NMR.
  • Plate handling: Use low-binding 96/384-well plates; minimize edge effects by allowing thermal equilibration and maintaining consistent DMSO percentage across wells.
  • Assay setup: Include vehicle controls, positive/negative controls, and duplicate/triplicate wells. Run an 8–10 point serial dilution (half-log or 3-fold) for potency estimation.
  • Data integrity: Monitor for turbidity/precipitation; confirm hits with orthogonal assays to exclude fluorescence interference, redox cycling, or aggregation.

• Note:

  • The above steps are general best practices and are not specific to MSC-1254. Consult the SDS and any future application notes for item-specific limits and compatibility.

Biological Roles

Item-specific biological role, target, or pathway information for MSC-1254 is not provided. The following guidance is general to small-molecule screening compounds and not specific to this item.

• Item-specific data:

  • Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet or literature if disclosed.

• General context (literature):

  • Small molecules in screening libraries are used as chemical probes or starting points to interrogate biological processes, including enzyme catalysis, receptor signaling, ion transport, and transcriptional regulation.
  • Hits from primary screens typically undergo triage (PAINS filtering, aggregation assessment, redox interference checks) and orthogonal validation.
  • Physicochemical properties (cLogP, TPSA, pKa) influence permeability, solubility, and non-specific binding; these should be measured or predicted once the structure is known.

• Practical considerations:

  • Assess compound stability in assay media (protein binding, serum interaction, photolability) through time-course LC–MS.
  • Include controls to detect assay interference: detergent sensitivity (aggregation), fluorescence quenching/enhancement, redox cycling in peroxidase-coupled assays.
  • If progressing to cellular assays, confirm DMSO tolerability of the cell line and evaluate cytotoxicity windows via standard viability assays.

• Documentation:

  • Record batch/lot, stock concentration, and storage conditions in your ELN to ensure reproducibility between biological experiments.

• Note:

  • No medical or clinical use is implied. MSC-1254 is supplied strictly for research use only, as stated in the Product Data.

Buffer Applications

This section is typically relevant for buffering agents or pH control systems. MSC-1254 is listed as a small-molecule/library compound without disclosed acid/base functionality; therefore, buffer formulation roles are not typically applicable.

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

• Practical guidance (general for small molecules in buffers):

  • When diluting DMSO stocks into aqueous buffers (e.g., PBS, HBSS, Tris, HEPES), verify that no precipitation occurs at the working concentration.
  • Avoid strong basic buffers with ester- or lactam-containing compounds and strong acidic buffers with acid-labile moieties—once structure is known, select buffers accordingly.
  • Maintain consistent final organic co-solvent percentage across controls and treated samples to ensure assay comparability.

• If buffer capacity or pH adjustment is required:

  • Use established biological buffers (HEPES, MOPS, phosphate) at appropriate pH ranges per literature; this is general guidance and not specific to MSC-1254.

Given the lack of structural and pKa information, treat MSC-1254 as a neutral solute for planning purposes until specific data are available.

Green Alternatives

Green chemistry considerations are typically framed around solvent and process choices. Because MSC-1254 lacks disclosed structure and reaction context, green alternatives pertain mainly to handling and formulation rather than specific transformations.

• Scope for this item:

  • No specific reaction or solvent-of-use is specified. Recommendations below are general and not item-specific.

• General greener practice for small-molecule handling:

  • Prefer aqueous-compatible systems when feasible; use minimal DMSO percentage in assays while maintaining solubility.
  • Replace high-toxicity aprotic solvents (e.g., DMF, NMP) with greener options such as Cyrene or propylene carbonate when assay or process permits (literature context).
  • Use ethanol or isopropanol instead of methanol when compatible, due to lower toxicity.
  • Minimize solvent volumes via microplate-based dispensing and acoustic droplet ejection to reduce waste.

• Comparison (general; not item-specific):

  • DMSO vs DMF/NMP: DMSO is generally considered lower hazard and more biodegradable; may be preferred for stock solutions.
  • Acetonitrile vs MeCN–water mixtures: Partial substitution with water can reduce organic solvent use in analytics/prep.

• Waste and energy:

  • Consolidate DMSO/organic waste streams for appropriate disposal; avoid chlorinated solvent use unless essential.
  • Store at -20°C as specified to maintain integrity and reduce repeat syntheses/re-orders, indirectly lowering environmental impact.

• Caveat:

  • Always confirm that greener substitutions maintain compound solubility, chemical stability, and assay performance.

Pharmaceutical Uses

No pharmaceutical or excipient role is provided for MSC-1254. This product is supplied strictly for laboratory research use and is not intended for human or veterinary use.

• Item-specific regulatory status: Not specified for this item; refer to CoA/Spec Sheet and SDS.

• General context for small molecules in R&D (not item-specific):

  • Early discovery compounds may be evaluated in vitro and in exploratory non-clinical studies to assess biochemical potency and selectivity; such activities require comprehensive characterization and are outside the scope of this product listing.
  • Without pharmacopeial monographs or excipient status, compounds should not be used in any formulation intended for administration.

• Laboratory formulation notes (general):

  • For preclinical research only: solutions are commonly prepared in DMSO or PEG-containing vehicles for in vitro experiments; these details must be established experimentally and are not specified for this item.

• Important disclaimer:

  • No claims are made regarding therapeutic activity, safety, or efficacy. Do not use MSC-1254 in diagnostic procedures or clinical applications.

Physical Properties

Item-specific physicochemical data are not provided in the Product Data. Do not assume values for this specific lot.

• Provided for this item:

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

• Commonly referenced properties for small molecules (general literature guidance; not item-specific):

  • Melting/Boiling Point, Density, LogP, pKa, Refractive Index, and UV–Vis characteristics are usually reported when structure is known.
  • Solubility: Library compounds are frequently soluble in DMSO (10–50 mM stock) and variably soluble in aqueous buffers depending on ionization state; confirm experimentally.

• Practical recommendations (general):

  • Determine solubility and stability in intended vehicles (e.g., DMSO, ethanol, aqueous buffer with co-solvent) via small-scale tests.
  • If crystalline, a melting point screen can support identity/purity checks; if amorphous/oily, DSC/TGA may be more informative.
  • Acquire UV–Vis spectrum (200–400 nm) to assess potential interference in spectrophotometric assays.

• What to consult:

  • CoA/Spec Sheet for any item-specific: melting point, water content, residual solvents, HPLC purity, and LC–MS data. If not listed, contact Technical Support for the latest analytical package.

• Caution:

  • Do not derive or apply literature values from similarly named compounds to MSC-1254 without primary structural confirmation.

Quality and Grades

The Product Data do not specify a grade or purity for MSC-1254. Do not infer analytical specifications without the CoA.

• Item-specific details:

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

• Typical quality attributes for small-molecule library items (general context; not item-specific):

  • Identity: Verified by LC–MS/HRMS; optional 1H NMR, 13C NMR.
  • Purity: Often ≥90–98% by HPLC/UPLC at multiple wavelengths (e.g., 220/254/280 nm); enantiomeric excess applicable for chiral compounds.
  • Residual solvents: Reported via GC; water content by Karl Fischer.
  • Inorganic residue/metals: ICP or limit tests when relevant to application (e.g., catalysis screens).

• What grade labels usually mean (general):

  • “Screening grade”: suitable for biochemical/cell-based assays; low non-volatile residues and known counter-ions.
  • “Analytical/AR grade”: meets broad analytical specifications for routine lab use.
  • “HPLC grade solvent/reagent”: low UV absorbance and particulates for chromatographic work.

• Documentation and verification:

  • Request the latest CoA/Spec Sheet for MSC-1254 for batch-specific purity, chromatograms, and identity data.
  • For sensitive applications (e.g., SAR, biophysical assays), consider in-house QC: LC–MS purity check upon receipt; archive the chromatogram in your ELN.

• Stabilizers/antioxidants:

  • Not specified for this item; refer to CoA/Spec Sheet. If present in similar items, they may influence UV or bioassay readouts; account for blanks/controls.

Reaction and Applications

No reaction-specific information is provided for MSC-1254. Without a known structure or functional groups, synthetic transformations or named-reaction roles cannot be assigned for this specific item.

• Applicable context for library compounds (general, not item-specific):

  • Primary use: tool or screening compound for biochemical, cellular, or phenotypic assays to explore structure–activity relationships (SAR) and target hypotheses.
  • Assay modalities: enzyme inhibition/activation, receptor binding, pathway modulation, or phenotypic readouts in cell-based systems.
  • Orthogonal confirmation: counter-screens against related targets, thermal shift assays (DSF), microscale thermophoresis (MST), or SPR as appropriate.

• If synthetic use is intended (general guidance):

  • Verify the presence of functional handles (halides, boronates, amines, acids) before planning couplings or derivatizations.
  • Perform a small-scale stability study under anticipated reaction conditions (base, acid, heat, metal catalysts) to detect decomposition.

• Practical tips:

  • Confirm identity/purity by LC–MS on receipt.
  • Prepare aliquoted DMSO stocks to minimize freeze–thaw and concentration drift from hygroscopic uptake.
  • Include appropriate vehicle controls in bioassays to rule out solvent effects.

• Not applicable to this item specifically:

  • We cannot cite specific named reactions, reagent compatibility, or catalytic behaviors for MSC-1254 without structural disclosure. Consult the CoA/Spec Sheet or contact Technical Support for further details if the compound is intended for chemical synthesis.

Reaction Conditions

No reaction conditions can be recommended for MSC-1254 without knowledge of its functional groups and stability profile.

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

• General guidance for handling unknown small molecules in chemical operations (not item-specific):

  • Conduct a small pilot reaction to test stability under representative conditions (e.g., mild base, mild acid, room temperature to 50°C) while monitoring by LC–MS or TLC.
  • Avoid strong oxidants/reductants or high temperatures until thermal stability (TGA/DSC) is assessed.
  • If moisture sensitivity is suspected (based on CoA notes or observation), use anhydrous solvents and inert atmosphere techniques.

• Analytical follow-up:

  • Use LC–MS for rapid assessment of decomposition products or adduct formation.
  • Record UV–Vis/IR before and after exposure to conditions to detect changes in chromophores or key functional groups.

• Yields and timelines:

  • Expected yields and reaction times are inherently structure-dependent and cannot be generalized to MSC-1254. Establish empirically once identity is confirmed.

Safety and Handling

Safety information specific to MSC-1254 is not provided in the Product Data. Handle as a laboratory chemical of unknown hazard.

• Item-specific hazard data:

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

• General laboratory precautions (good practice):

  • Use in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
  • PPE: safety glasses or face shield, lab coat, appropriate chemical-resistant gloves (e.g., nitrile), and closed-toe shoes.
  • Avoid generating dust or sprays during weighing and solution prep; cap vials promptly to minimize moisture uptake and contamination.

• Incompatibilities/precautions (general):

  • Unknown reactivity; segregate from strong oxidizers/reducers and strong acids/bases until specific compatibility is known.
  • Use amber containers or foil wrap if chromophores are suspected; minimize freeze–thaw cycles.

• First-aid (overview; defer to SDS):

  • Skin/eye contact: rinse with water for at least 15 minutes; remove contaminated clothing.
  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Ingestion: rinse mouth; do not induce vomiting; seek medical advice.

• Spill/Disposal (general):

  • Absorb small spills with inert material; place in chemical waste.
  • Dispose of according to institutional, local, and national regulations.

• Authoritative reference: Always consult the product-specific SDS for definitive handling, storage incompatibilities, and regulatory information.

Solvent Selection

With no structural information provided for MSC-1254, solvent selection should be guided by small-scale solubility and stability screens.

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

• General practice for screening compounds (literature guidance; not item-specific):

  • Primary stock vehicle: DMSO is commonly used at 10–50 mM due to broad solvency and assay compatibility up to 0.1–1% v/v in many systems.
  • Secondary vehicles: DMF, ethanol, methanol, acetonitrile; co-solvent systems with aqueous buffers (e.g., PBS, HBSS) may be used after dilution from organic stocks.
  • pH modulation: For ionizable compounds, adjust pH using volatile buffers (ammonium bicarbonate) or add minimal equivalents of acid/base to enhance solubility.

• Practical workflow:

  • Start with a 10 mM DMSO solubility check (room temperature, gentle mixing); inspect for clarity and stability over 24–48 h.
  • If insoluble, try co-solvent blends (DMSO:water, DMSO:EtOH, DMSO:ACN) and mild warming (<40°C) with sonication; avoid prolonged heat.
  • Assess precipitation upon aqueous dilution at working concentrations; include surfactants if compatible with the assay (e.g., 0.01% Tween 20 in biochemical assays).

• Comparison notes (general):

  • DMSO vs DMF: DMSO is less volatile and often more biocompatible; DMF can be more aggressive and hygroscopic.
  • Ethanol/MeOH: Lower solvency breadth but higher volatility; may be preferable in certain spectroscopic or microbiology workflows.

• Documentation:

  • Record solvent system, final DMSO percentage, and any precipitation or color change. Validate solvent compatibility with your assay platform.

Storage and Reconstitution

Item-specific storage conditions are provided; reconstitution details are not. Follow conservative practices for small-molecule library compounds.

• Provided for this item:

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

• Item-specific appearance and solvent recommendations:

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Recommended reconstitution solvent and concentration: Not specified for this item; refer to CoA/Spec Sheet.

• General reconstitution guidance (not item-specific):

  • Allow vial to equilibrate to room temperature in a desiccated environment before opening to prevent condensation.
  • Prepare an initial stock solution in a suitable solvent (commonly DMSO for library compounds) after confirming solubility on a small scale. Record exact mass, solvent, and final concentration in the ELN.
  • If water solubility is desired, dilute an organic stock into buffer slowly with mixing to avoid precipitation. Consider gentle heating (<40°C) or brief sonication if needed.

• Aliquoting and stability:

  • Prepare single-use aliquots to minimize freeze–thaw cycles; store tightly capped at -20°C (or colder if indicated by future documentation). Protect from light if chromophores are suspected.
  • Periodically check integrity by LC–MS/HPLC, especially after 6–12 months of storage.

• Research Use Note:

  • For research use only. Not for human or veterinary use.

Structure and Identity

Brief overview: MSC-1254 is listed as a small-molecule/library compound. Item-specific structural identifiers are not provided in the current Product Data.

• Item-specific identifiers (from Product Data):

  • SKU: M1453872
  • Product Name: MSC-1254
  • CAS: M1453872 (catalog identifier used as CAS here; true CAS not provided)
  • Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (descriptive):

  • Not determinable without SMILES/InChI or a structure drawing for this specific item.

• Notes on code-named screening compounds (general literature context):

  • Many library items (e.g., MSC-XXXX codes) are research screening compounds with internal identifiers prior to full structural disclosure.
  • Such items are typically provided with accompanying documentation (CoA/SDS) containing structure, elemental composition, and purity once available.

• Practical guidance:

  • If you require identity confirmation (e.g., NMR, LC–MS, HRMS), request the latest CoA/Spec Sheet and SDS. Authenticate in-house prior to critical studies.
  • If structure is provided post-purchase, capture canonical SMILES/InChI in your ELN to ensure unambiguous tracking.

• 2D structure description:

  • Not available for this item as the necessary structural identifiers are not supplied in the Product Data.

Synthetic Utility

Synthetic transformations, functional-group interconversions, and named-reaction roles for MSC-1254 cannot be described without structural information. The Product Data provide no SMILES, InChI, or functional group annotations for this item.

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

• General remarks (not item-specific):

  • If MSC-1254 is to be used as a building block, verify the presence of reactive handles (e.g., aryl halide, boronic acid/ester, amine, carboxylic acid) via the structural documentation.
  • Confirm chemical stability under planned conditions (acid/base, heat, metal catalysts, oxidants/reductants) by micro-scale trials and LC–MS monitoring.
  • Protecting-group strategies, regio-/stereoselectivity, and cross-coupling suitability are entirely dependent on the actual structure.

• Practical workflow if structure becomes available:

  • Map synthetic vectors and potential derivatization points for SAR.
  • Evaluate orthogonal routes to analogs (e.g., Suzuki vs Buchwald–Hartwig vs SNAr) based on functional-group compatibility.
  • Assess purification strategy (normal-phase, reverse-phase prep HPLC, crystallization) aligned to polarity and ionization.

In summary, without disclosed identity, MSC-1254 should be treated primarily as a screening compound rather than a synthetic intermediate.

Target Specificity

Target, epitope, and binding specificity details are not provided for MSC-1254. As a small-molecule/library item, typical antibody-specific parameters (antigen, clone, isotype, species reactivity) are not applicable.

• Item-specific target information: Not specified for this item; refer to CoA/Spec Sheet or any accompanying application notes if later disclosed.

• General note (not item-specific):

  • For screening compounds, target specificity is established experimentally through biochemical assays, selectivity panels, and orthogonal biophysical methods (e.g., SPR, ITC, DSF). Incorporate counter-screens to rule out frequent hitters and assay artifacts.