BAY-204 - ≥98% , CAS No.2468784-57-6

CAS: 2468784-57-6 Cat. No.: B1426646 Formula: C₂₉H₂₆F₃N₅O₂ Molecular Weight: 533.54

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

BAY-204 is an inhibitor of Casein kinase 1 alpha and delta (CSNK1α and δ) useful for the research of proliferative disorders.

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Molecular Weight

533.54

Application Protocols

Item-specific facts (from Product Data)

• No validated application protocols are provided for this item.

General protocols for small-molecule screening (literature/general)

1. Preparation of DMSO stock solution

• Allow vial to equilibrate to room temperature in a desiccator. Weigh required amount quickly. Add anhydrous DMSO to achieve 10–50 mM. Vortex and briefly sonicate until clear. Protect from light.
• Optional: Verify concentration by quantitative 1H NMR or UV–vis if the extinction coefficient is known; otherwise, use gravimetric preparation with calibrated balances.

2. Plate-based serial dilution

• Use acoustic dispensing or pin tools to transfer stock to assay plates. Perform serial 1:3 or 1:2 dilutions in assay buffer containing matching DMSO. Include vehicle controls and reference standards.
• Mix thoroughly by gentle shaking; avoid introducing bubbles. Inspect visually for precipitation.

3. Solubility and stability spot-check

• Prepare assay-relevant concentrations in buffer, incubate at assay temperature, then analyze by LC–MS at 0 and 120 min to confirm stability and absence of carryover precipitate (centrifuge before sampling).

4. Data QC

• Include inter-plate controls, Z′-factor calculation for HTS, and replicate wells to ensure robustness. Track compound plate age and freeze–thaw history.

Note

• Tailor specifics (volumes, plate formats, readouts) to your assay; validate compatibility with your detection modality.

Biological Roles

Item-specific facts (from Product Data)

• Target, mechanism, and biological class are not specified for this item; refer to literature or internal project documentation if available.

General context for small-molecule screening compounds (literature/general)

• Small molecules like BAY-204 are commonly used as chemical probes or hits/leads in discovery workflows. Their biological “roles” are defined experimentally via target-based assays, phenotypic screens, or chemoproteomic profiling.
• If/when a putative target is identified, orthogonal validation (e.g., thermal shift assays, CETSA, knockdown/overexpression rescue, and counter-screens against related proteins) is recommended to establish on-target activity and selectivity.
• Off-target assessment: Apply broad counterscreens (e.g., hERG, CYP panel, NanoBRET selectivity) to de-risk liabilities. Evaluate cytotoxicity (e.g., resazurin/CellTiter-Glo) to establish non-toxic assay windows.
• Physicochemical drivers: Ionization state, lipophilicity, and polar surface area strongly influence permeability and cellular uptake; determine these experimentally when structure is known.
• Stability: Assess chemical and metabolic stability in relevant buffers, microsomes, or S9 fractions; identify soft spots for potential medicinal chemistry optimization if BAY-204 is part of a series.

Important

• Do not infer biological activity or therapeutic relevance in the absence of validated data. This product is supplied strictly for research use and method development.

Buffer Applications

Applicability to this item

• BAY-204 is not a buffering agent. However, buffer selection is critical for preparing biologically compatible assay solutions of hydrophobic small molecules.

General guidance (literature/general)

• Common assay buffers: PBS (pH 7.2–7.4), HEPES (pH 7.2–7.6), Tris (pH 7.4–8.0). Choose based on enzyme/protein requirements and compatibility with detection modality.
• Co-solvent limits: Maintain DMSO ≤0.1–0.5% v/v in biochemical assays and ≤0.1–0.3% in sensitive cell-based assays unless validated otherwise. Include vehicle controls at corresponding solvent percentages.
• Surfactants to mitigate precipitation/adsorption: Add 0.01–0.05% v/v nonionic surfactant (e.g., Tween 20, Tween 80, or Pluronic F-68) when compatible with assay readout.
• Order of addition: Prepare a concentrated DMSO stock, add to buffer while vortexing to a final concentration well below kinetic solubility limits. Allow to equilibrate and visually inspect for turbidity; filter (0.2 µm PTFE or PES) if necessary and compatible.
• Protein presence: Serum or BSA (0.1–1%) can increase apparent solubility via binding; interpret potency shifts accordingly and maintain consistency across experiments.
• pH effects: If the compound is ionizable (once known), adjust buffer pH to enhance solubility without compromising biological function.

Practical tips

• Pre-wet plasticware with buffer containing a trace of surfactant to reduce adsorption losses of lipophilic compounds.
• Run a quick nephelometry or UV–vis baseline scan to confirm clarity before initiating kinetic measurements.

Green Alternatives

Applicability to this item

• As BAY-204 is an individual small molecule (not a solvent or reagent), the concept of “green alternatives” pertains mainly to the choice of solvents and workflows used with it, not replacement of the compound itself.

Greener workflow considerations (literature/general)

• Stock solution solvent: Where possible, favor ethanol or water/co-solvent delivery over higher-toxicity solvents. In practice, DMSO remains the most broadly compatible option; keep final DMSO ≤0.1–0.5% in assays to minimize biological impact.
• Miniaturization: Use low-volume acoustic dispensing to reduce solvent consumption and chemical waste in HTS/assays.
• Analytical methods: Employ LC–MS with short gradients and aqueous-rich mobile phases; prefer MeOH over acetonitrile when sensitivity allows. Utilize sub-2 µm or core–shell columns to shorten runs and reduce solvent.
• Waste management: Segregate halogenated from non-halogenated organic waste. Opt for less hazardous cleaning solvents (e.g., IPA/water) for bench surfaces and equipment when compatible.

Illustrative solvent comparison for dissolution (general)

• DMSO: High solvency, moderate toxicity, excellent assay compatibility at low %; not renewable but widely adopted.
• Ethanol: Renewable feedstock, lower toxicity; may afford lower solubility and has biological effects at higher %.
• PEG-400/co-solvent systems: Good solvency; viscosity may complicate dispensing; typically limited to in vivo contexts, not routine HTS.

Note

• No compound-specific greener substitute is appropriate given the unknown structure; optimize surrounding processes instead.

Pharmaceutical Uses

Item-specific facts (from Product Data)

• No pharmacopeial grade or excipient role is specified. The product is designated for research use only.

General considerations (literature/general)

• Without a disclosed structure, BAY-204 should not be used for any clinical or diagnostic purpose. If later advanced, activities related to preformulation (solubility, polymorph screening, salt selection) would be typical in early development but are outside the scope of this research-use listing.
• Documentation typically required for pharmaceutical workflows (not provided here): impurity profiles, residual solvents per ICH Q3C, elemental impurities per ICH Q3D, and stability per ICH Q1.

Research-use formulation notes

• For in vitro work, prepare DMSO stocks and dilute into assay buffers as described in Buffer Applications. For any in vivo method development conducted in preclinical research labs, develop vehicle systems with validated tolerability (e.g., aqueous 10–20% PEG-400 + 10% solubilizer + water), ensuring all work remains non-clinical and compliant with institutional guidelines.

Important

• No therapeutic claims are made or implied. This product is not intended for human or veterinary use or as an API/excipient.

Physical Properties

Item-specific facts (from Product Data)

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

Not specified for this item; refer to CoA/Spec Sheet

• Molecular weight, formula, melting point, boiling point, density, refractive index, pKa/logP, and solubility are not specified for this item; refer to CoA/Spec Sheet and SDS.

General guidance for unknown small-molecule solids (literature/general)

• Many discovery compounds are supplied as off-white to light-colored solids or films and are typically soluble in high-boiling polar aprotic solvents (DMSO, DMF, NMP) and variably soluble in alcohols or acetone.
• Typical working stock concentrations for plate-based screening are 1–50 mM in anhydrous DMSO. Solubility above 50 mM is scaffold-dependent and should be confirmed experimentally (turbidity check or nephelometry).
• Thermal behavior: Screening compounds can be thermally labile and/or photosensitive; light protection and low-temperature storage (2–8°C per Product Data) minimize degradation.
• Hygroscopicity: Many heteroatom-rich compounds are hygroscopic; desiccated storage is indicated in Product Data.
• Acid/base character: If later found to be ionizable, pKa will substantially affect aqueous solubility and partitioning; use pH-shift assays to quantify apparent solubility.

Important

• Do not treat the above as item specifications. When exact physical constants are required, consult the item’s CoA/Spec Sheet and SDS, and verify experimentally under your intended conditions.

Quality & Grades

Item-specific facts (from Product Data)

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

Interpreting grade and documentation (general)

• For screening compounds such as BAY-204, vendors typically provide an assay (HPLC/UPLC) purity, identity confirmation (LC–MS and/or 1H NMR), and water/volatile content where relevant. In absence of a stated grade, treat as research grade intended for in vitro laboratory use.
• If “HPLC purity” is provided on the CoA, note the detection wavelength(s) and methods used; aromatic compounds may show higher UV response at 220–254 nm, potentially masking coeluting impurities at alternate wavelengths.
• Residual solvents/metals: Not specified for this item; refer to CoA/Spec Sheet. If trace metals could influence bioassays, consider ICP-MS screening of your working lot.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If supplied with stabilizer or counterion (e.g., TFA salt), account for this in molecular weight and dosing calculations.

Practical guidance

• Verify identity/purity on receipt using orthogonal methods (LC–MS, 1H/13C NMR if material is sufficient). Record retention times and HRMS where possible to support future comparability.
• For quantitative biology, normalize dosing to free-base/free-acid molecular weight if salts/solvates are present; consult the CoA for exact composition.
• If low-UV absorbance is required (e.g., HPLC detection at 210 nm), ensure grade is compatible or apply mass spectrometric detection.

Reaction & Applications

Applicability to this item

• BAY-204 is listed within a small-molecule/compound library context. No synthetic or reactive functionality is specified in the Product Data; therefore, preparative organic reactions are not the primary use case.

General research applications for coded small molecules (literature/general)

• Chemical biology and screening: Preparation of concentrated DMSO stocks (e.g., 10 mM) for high-throughput screening (HTS), biochemical assays, or cell-based phenotypic assays.
• Reference material: Use as a comparator or positive/negative control when its activity or target becomes available from literature or internal profiling. Establish internal potency benchmarks and stability-indicating methods (LC–MS).
• ADME profiling: Determine kinetic solubility, microsomal stability, plasma protein binding, and permeability (PAMPA/MDCK) to position BAY-204 relative to series SAR if part of a program.
• Analytical development: Create calibration curves for LC–MS quantitation in assay buffers or biological matrices once an authentic standard response is characterized.

Practical handling tips

• Weigh quickly in a low-humidity environment. Immediately prepare a concentrated stock in anhydrous DMSO, vortex, brief sonication if needed, then allow to equilibrate (5–10 min) before inspection for clarity.
• For serial dilutions across plates, use acoustic or pin tools to minimize DMSO exposure and evaporation. Backfill plate edges to reduce edge effects.
• Track freeze–thaw cycles of stock solutions; aliquot to single-use vials when feasible.

Reaction Conditions

Applicability to this item

• No chemical reactivity or transformation use is specified for BAY-204; therefore, standardized “reaction conditions” are not applicable.

General guidance for handling in solution (literature/general)

• Dissolution: Start with anhydrous DMSO to 10–50 mM. Gentle warming (≤40°C) and brief bath sonication can aid dissolution; avoid prolonged heating or light exposure consistent with Product Data.
• Dilution into aqueous buffers: Add DMSO stock slowly into vigorously stirred buffer to the desired final concentration, maintaining final DMSO typically ≤0.1–0.5%.
• Filtration: If particulates are observed, clarify with 0.2 µm PTFE/PES filters and confirm no adsorption losses by measuring pre/post LC–MS peak areas.
• Stability checks: Run time-course LC–MS at room temperature and at assay temperature to ensure chemical integrity over the assay window. Store working solutions consistent with short-term stability findings.

Note

• If a structure becomes available, consult functional-group-specific conditions from the literature for any contemplated transformations.

Safety & Handling

Item-specific facts (from Product Data)

• Storage: 2–8°C, protected from light, desiccated. Shipped on wet ice.
• GHS/Signal word/H-statements/Pictograms: Not specified for this item; refer to SDS.

General laboratory safety (literature/general; always defer to SDS)

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). For weighed powders, minimize dust formation; use antistatic measures and microspatulas.
• Avoid exposure to moisture and light per Product Data; open vials only briefly and recap promptly. Consider working in a desiccated enclosure for hygroscopic materials.
• Incompatibilities: Until structure is known, avoid strong oxidizers and strong acids/bases. Do not mix with reactive reducing agents or peroxides without structural verification.
• First aid overview: In case of skin contact, wash with soap and water. Eye contact: flush with water for 15 minutes and seek medical attention. Inhalation: move to fresh air; seek medical attention if symptoms persist. Ingestion: rinse mouth; seek medical attention. Refer to SDS for definitive instructions.
• Spill response: For small quantities, absorb with inert material (e.g., silica or vermiculite), collect in a sealable container for disposal. Prevent dust/aerosol generation. Dispose of in accordance with institutional and regulatory requirements.
• Thermal/photo stability: Protect from direct light and excessive heat; use amber vials and chilled autosamplers where applicable.

Note

• Because hazard classification is not specified, exercise heightened caution and consult the SDS prior to first use.

Solvent Selection

Item-specific facts (from Product Data)

• Structure/ionization not specified for this item; solvent choice should be empirically optimized.

General solvent strategy for unknown small molecules (literature/general)

• Primary solvents for stock solutions: DMSO (anhydrous, ≥99.9%) is the default due to broad solvency and assay compatibility up to 0.1–1% v/v final. DMF or NMP are alternatives when higher solubility is required, but may be less assay-compatible.
• Secondary screening: Ethanol or isopropanol can aid solubility for moderately lipophilic scaffolds and evaporate cleanly; acetone and acetonitrile are additional options. For very nonpolar compounds, consider tert-butyl methyl ether (TBME) or dichloromethane for intermediate steps (not for aqueous dosing).
• Aqueous delivery: Use co-solvent strategies (e.g., 0.1–0.5% DMSO final) and, where compatible, 0.01–0.05% nonionic surfactant (Pluronic F-68 or Tween 80) to prevent precipitation and adsorption.
• pH-shift solubilization: For ionizable compounds (if later confirmed), dissolve in minimal DMSO, then dilute into buffered media near pH where the compound is most ionized; avoid extreme pH that may compromise biological systems.

Comparison (general)

• DMSO vs DMF: DMSO typically affords better assay tolerance; DMF may increase solubility but can affect proteins and cells at lower percentages.
• Ethanol vs acetonitrile: Ethanol often better tolerated biologically; acetonitrile provides faster evaporation for analytical prep.

Practical tips

• Perform a solubility mini-screen (visual turbidity or nephelometry) across DMSO, DMF, ethanol, and buffers before committing to large assays.
• Filter 0.2 µm if particulate forms; verify no loss to filters by LC–MS.

Storage & Reconstitution

Item-specific facts (from Product Data)

• Storage conditions (as shipped dry/solid): Store at 2–8°C, protected from light, desiccated. Shipped on wet ice.
• Appearance and solvent recommendations: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (literature/general)

• Before opening, allow the sealed container to equilibrate to room temperature in a desiccator to prevent moisture condensation. Open quickly, weigh, and promptly reseal.
• Prepare a concentrated stock in anhydrous DMSO (e.g., 10–50 mM). Mix by vortexing; use brief bath sonication if needed. Confirm clarity and homogeneity before use.
• Aliquoting: Divide stock solution into single-use, amber vials or PCR tubes to minimize freeze–thaw cycles and light exposure.
• Short-term handling: Keep solutions protected from light during experiments (foil-wrapped tubes, amber plates/vials).

Solution storage

• Not specified for this item; refer to CoA/Spec Sheet. As general practice only, many DMSO stocks are kept at ≤–20°C in amber containers and used within weeks to months, contingent on stability studies. Avoid repeated freeze–thaw cycles; thaw on ice or at room temperature and mix before use.

Stability monitoring

• Implement a stability-indicating LC–MS method to periodically check for degradation products. Discard solutions showing precipitation, color change, or new peaks in chromatograms.

Note

• Always prioritize the item’s CoA/SDS for binding instructions if they differ from these general practices.

Structure & Identity

Item-specific facts (from Product Data)

• Product Name: BAY-204 (SKU: B1426646)
• CAS: 2468784-57-6
• Category: Small molecules and compound libraries (全部 / 可售 / 小分子和化合物库)
• Storage: 2–8°C, protected from light, desiccated; shipped on wet ice
• Research Use: For research use only

Not specified for this item; refer to CoA/Spec Sheet

• Chemical name(s): 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.
• SMILES / InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry and structural features: Not specified for this item; refer to CoA/Spec Sheet.

General chemistry notes (literature/general)

• “BAY-” prefixes often denote discovery-stage small molecules from Bayer pipelines; without a disclosed structure, treat this as an opaque small-molecule screening compound. Do not assume functional class or target based on the code name alone.
• If structural information becomes available, capture: core scaffold (heteroaromatic/biaryl/etc.), ionizable groups (acid/base/neutral), H-bond donors/acceptors, and rotatable bond count, as these parameters guide solvent selection and assay design.

Synthetic Utility

Applicability to this item

• BAY-204 is supplied as a screening/small-molecule library member with no disclosed structure or reactive handle information. It is not positioned as a synthetic reagent, catalyst, or building block in the Product Data.

General notes (literature/general)

• Without functional group disclosure, planning transformations (e.g., cross-couplings, oxidations/reductions, or protective group chemistry) is not feasible. If a structure becomes available and synthetic modification is desired (e.g., to generate SAR analogs or tagged derivatives), standard retrosynthetic analysis should be applied based on the identified scaffold and functional handles.
• If used as an analytical standard, its “synthetic utility” is limited to calibration and method validation rather than chemical transformation.

Practical guidance

• If derivatization is contemplated (e.g., for biotinylation or fluorescent tagging), first determine available nucleophilic/electrophilic sites and stability toward conjugation conditions. Validate that modifications do not disrupt intended biological profiling.

Conclusion

• Treat BAY-204 primarily as a research-standard small molecule rather than a synthetic intermediate unless structural information is subsequently provided.

Target Specificity

Item-specific facts (from Product Data)

• Target, mechanism of action, and selectivity profile: Not specified for this item; refer to CoA/Spec Sheet or primary literature if available.

General guidance (literature/general)

• Establish target engagement with orthogonal methods: enzyme kinetics, binding assays (SPR/ITC), thermal shift/CETSA, or cellular target engagement assays.
• Define selectivity by screening across related isoforms, GPCR panels, kinases, or proteases as appropriate once a putative target class is known.
• Deconvolute phenotypic hits using CRISPR knockouts/knockdowns and chemoproteomic pull-downs (if derivatizable) to assign molecular targets.

Note

• No item-specific target information is provided here; avoid making assumptions based solely on the BAY-204 code.