WAY-300442 - ≥98% , CAS No.333773-08-3

CAS: 333773-08-3 Cat. No.: W418050 Formula: C₁₈H₁₁BrN₂O₄ Peso molecolare: 399.19494

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

inhibitors of ATP-kinases

Specifications

Specifiche e purezza

≥98%

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.

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

COC1=CC2=C(OC(=O)C(=C2)C3=NN=C(O3)C4=CC=CC=C4Br)C=C1

Peso molecolare

399.19494

Application Protocols

No tested applications or usage protocols are provided for this item.

General small-molecule handling protocols (for guidance only)

• Stock preparation: Weigh accurately on an analytical balance and dissolve in dry DMSO to a typical 10–50 mM stock. Vortex thoroughly; sonicate briefly if needed. Avoid heating unless stability is known.
• Working solutions: Dilute stock into assay buffer/media with vigorous mixing to the desired concentration, keeping final DMSO consistent across wells/samples. Inspect for precipitation or color change.
• Storage of solutions: Aliquot stocks into amber vials or plates, flush headspace with inert gas if stability is a concern, and store at –20 °C or below. Record freeze–thaw cycles and discard after a defined number (lab SOP-dependent).
• QC check: Run LC–MS or HPLC-UV of fresh vs stored solutions to confirm stability and concentration within acceptable limits for your assay.

Note: For any specialized application (e.g., crystallography, biophysical binding), tailor buffer composition, additive use, and temperature to the target system. Validate conditions empirically.

Biological Roles

• Specific biological targets, pathways, and roles for WAY-300442 are not provided in the Product Data. No claims are made here regarding mechanism, activity, or selectivity.

General guidance for researchers

• Before deploying in cellular or biochemical assays, consult primary literature and confirm: proposed target(s), binding/functional assay formats, reported potency ranges, and any known off-target liabilities. Cross-check species relevance if translating across model systems.
• Establish a fit-for-purpose control plan: include vehicle controls (matching DMSO%), positive controls (if a standard exists for the pathway), and counter-screens to rule out assay interference (fluorescence quenching, redox cycling, aggregation/PAINS behavior).
• Run a preliminary concentration–response (e.g., 10-point, 1:3 serial dilutions) to map the dynamic range and assess cytotoxicity separately from functional readouts.

Assay interference precautions (general)

• Monitor compound autofluorescence and inner-filter effects when using optical readouts; confirm with orthogonal, non-optical assays if anomalies arise.
• Test for colloidal aggregation using detergent supplementation (e.g., 0.01–0.05% Tween-20) or DLS where relevant.

Note: This product is for research use only and is not intended for diagnostic or therapeutic applications.

Buffer Applications

This item is a discrete small-molecule compound rather than a buffering reagent. No buffer system parameters (pKa, buffering range) are provided or expected.

Practical notes

• If required to formulate in aqueous buffers, determine solubility across pH 2–10 and assess stability in your chosen buffer (PBS, HEPES, Tris, etc.).
• Maintain consistent vehicle concentration (e.g., DMSO %) across buffer-diluted samples to avoid variability.
• Filter solutions only if the compound is stable and non-adsorptive to the membrane material; perform adsorption checks when working at low micromolar concentrations.

Green Alternatives

In the absence of compound-specific process chemistry, green considerations focus on solvent and handling choices during preparation and analysis of WAY-300442 solutions.

Greener handling strategies (general)

• Prefer low-toxicity, biorenewable, or lower-impact solvents where compatible with your assays (e.g., ethanol or 2-propanol over chlorinated solvents; water-buffered systems when solubility permits).
• For chromatographic analyses, consider water–acetonitrile systems and reduce gradient lengths to cut solvent consumption. Evaluate ethanol–water gradients with elevated temperature if your LC system and analyte allow.
• Perform microscale experiments to minimize chemical use during solubility/stability scouting.

Illustrative comparison (general, literature-based)

• DMSO vs alternatives: DMSO offers unmatched solvency but is not biorenewable and complicates waste. Ethanol can be greener but may not dissolve lipophilic compounds adequately. Propylene carbonate (PC) can be a greener high-permittivity option for some molecules but may be viscous.
• Chlorinated solvents (DCM/CHCl3) should be avoided for routine solution prep; if needed analytically, capture and segregate waste and consider ethyl acetate or CPME as alternatives where technically feasible.

Documentation

• Track solvent volumes and select the least hazardous option meeting assay needs. Include justification for solvent choice in method SOPs to support green chemistry metrics (e.g., PMI, EHS scores).

Pharmaceutical Uses

No pharmacopeial status, excipient function, or manufacturing role is provided for WAY-300442. This product is supplied strictly for research use only.

General considerations (non-clinical, formulation science context)

• If used in preclinical discovery research, typical operations include preparation of dosing solutions/suspensions for in vitro or ex vivo assays. Select vehicles based on compound solubility and assay tolerance (e.g., DMSO for in vitro; not for in vivo unless institutionally approved and within limits).
• Characterize solution stability, adsorption to plastics, and light sensitivity before long incubations or high-throughput screening runs.
• No claims are made regarding suitability for GMP manufacturing or clinical development. For any regulated use, new qualification and documentation would be required.

Physical Properties

Item-specific physical data are not provided in the Product Data for W418050 (WAY-300442). Do not assume values; confirm on the CoA/Spec Sheet.

• 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 specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable to solids; if liquid, not specified here; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

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

• For unfamiliar small molecules, begin solubility screening with analytical-grade DMSO to prepare a 10–50 mM primary stock, followed by serial dilution into assay media or aqueous buffers containing co-solvent (e.g., 0.1–1% DMSO) if compatible with the assay.
• If water solubility is required, evaluate pH-dependence by preparing buffered solutions spanning pH 2–10; consider salt formation for basic/acidic compounds.
• Assess stability by short LC–UV/LC–MS time-course at room temperature vs 4 °C and –20 °C in your intended solvent system to detect hydrolysis, oxidation, or isomerization.
• If the compound is crystalline, differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) can quickly reveal polymorphism or residual solvent content; verify with the CoA prior to method development.

Quality and Grades

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

Interpretation and expectations

• For small-molecule screening compounds, suppliers typically provide an assay (HPLC/UPLC) purity and identity confirmation (NMR/HRMS/LC–MS). In the absence of an explicit value here, consult the item’s CoA for the validated purity method, detection wavelength(s), and reference standard details.
• If a salt form or solvate is provided, the CoA should state the counterion/residual solvent content. None are specified here.
• Chromatographic grade terms (e.g., HPLC grade) generally apply to solvents, not actives; not applicable unless explicitly stated.

What to verify on receipt (best practice)

• Identity: LC–MS with exact mass match; optional 1H NMR for structural confirmation.
• Purity: Orthogonal purity check (HPLC-UV at multiple wavelengths and, if available, ELSD or CAD) to avoid UV bias.
• Water and residual solvent: Karl Fischer and GC headspace as needed for sensitive assays.
• Solid-state form: If polymorph or amorphous form may impact your work, request XRPD/DSC from the CoA.

Documentation

• Request the latest CoA/Spec Sheet and SDS before use. Archive batch-specific data with your electronic lab notebook (ELN).

Reaction and Applications

This product is supplied as a small-molecule research compound, not as a synthetic reagent or solvent. No manufacturer application notes are provided beyond research use.

Potential uses in research workflows (general guidance)

• Chemical biology and screening: Use as a discrete library member in target-based or phenotypic assays after confirming identity and purity (LC–MS/HPLC). Maintain batch traceability.
• Reference/benchmarking: If literature activity exists for WAY-300442 (not provided here), it may serve as a positive/negative control in relevant assays. Verify the intended target, concentration ranges, and selectivity from peer-reviewed sources before use.
• ADME profiling: Determine fundamental properties (solubility, stability in assay buffers, microsomal stability, plasma protein binding) to qualify it for screening cascades.

Practical tips

• Prepare single-use DMSO aliquots to avoid freeze–thaw cycles and concentration drift from hygroscopic DMSO.
• Record exact stock concentration by weight-in-volume with balance traceability; confirm by quantitative NMR or LC–UV against a calibrated standard if critical.
• If photolability is suspected, conduct assays under reduced light and store solutions in amberware.

Note: No specific reaction chemistry (e.g., named reactions) is applicable here unless WAY-300442 is intentionally used as a substrate in mechanistic or metabolic studies.

Reaction Conditions

No item-specific reaction condition data are provided, and this product is not positioned as a reagent. Therefore, no named-reaction conditions or catalytic systems are recommended for WAY-300442.

General considerations if conducting transformations on this molecule (structure required)

• Solvent choice, temperature, and catalyst selection must be based on verified functional groups and stability. Start with micro-scale scouting and orthogonal analytics (LC–MS, NMR) to track conversions and degradation.
• For sensitive small molecules, employ inert atmosphere techniques, low-light handling, and anhydrous solvents as dictated by stability studies.
• If salt formation is desired for solubility or crystallization, perform counterion screening (e.g., HCl, HBr, mesylate for bases; Na+, K+, tromethamine for acids) while monitoring for polymorphs.

Because structure and reactivity are not specified, consult the CoA/Spec Sheet and relevant literature before planning any chemical transformations.

Safety and Handling

Hazard data for this specific item are not listed in the Product Data. Always consult the SDS for authoritative information.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / Pictograms / H-statements: Not specified for this item; refer to SDS.

General laboratory precautions (good practice)

• Handle in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
• PPE: Lab coat, safety glasses or splash goggles, and appropriate chemically resistant gloves (e.g., nitrile). Consider double-gloving for DMSO solutions.
• Storage incompatibilities: Until structure is confirmed, segregate from strong oxidizers, strong acids/bases, and reducing agents. Keep away from ignition sources if solvent is flammable.
• Hygroscopicity/oxidation: Unknown for this item; minimize air/moisture/light exposure until stability is verified. Work from an amber vial when possible.
• First aid (overview; defer to SDS): In case of skin contact, wash with soap and water. Eye contact: rinse cautiously with water for several minutes. Inhalation: move to fresh air. Ingestion: rinse mouth; seek medical advice. Provide SDS to responders.
• Spill response: Avoid dust generation; absorb solutions with inert material. Collect for disposal according to institutional and local regulations.
• Waste: Dispose as organic laboratory chemical waste; segregate halogenated vs non-halogenated solvents when applicable.

Solvent Selection

Item-specific solubility and polarity are not provided. Until CoA/structure data are available, use a conservative, stepwise solubilization strategy suitable for diverse small molecules.

Recommended approach (general practice)

• Primary stocks: Prepare in anhydrous DMSO (common starting point for screening compounds). Typical concentrations: 10–50 mM. Filter-sterilize only if required by the assay and if the compound is not adsorbed by membranes.
• Secondary solvents: For less lipophilic compounds, DMF, ethanol, or methanol can be alternatives; for very lipophilic species, consider co-solvents like PEG-400 or solubilizers (e.g., Captisol, Tween 80) depending on assay tolerance.
• Aqueous dilution: Add DMSO stocks last into vigorously mixing buffer/media to minimize precipitation. Keep final DMSO ≤0.1–1% v/v as dictated by biological assay limits.
• pH adjustment: If the compound is ionizable (unknown here), solubility may increase upon salt formation. Conduct small-scale pH solubility screens.

Small comparison (general, literature-based)

• DMSO: Highest solvency, broad compatibility; may affect some bioassays at >1%.
• Ethanol/MeOH: Easier volatility; lower solvency for highly lipophilic chemotypes; cytotoxic above low % levels.
• DMF: Strong solvency; handle with care due to toxicity; limit in bioassays.

Document precipitation or turbidity during dilutions and confirm delivered concentration by UV or LC–MS when feasible.

Storage and Reconstitution

• Storage conditions (as provided): Store at –20 °C.
• Shipped in: Ice chest + ice pads.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance for small molecules)

• Preferred solvent: Anhydrous DMSO for primary stock unless compound-specific guidance indicates otherwise.
• Stock concentration: Commonly 10–50 mM; select based on solubility and intended assay range. Record exact concentration (mg-to-mmol conversion requires confirmed molecular weight; not provided here).
• Technique: Allow vial to equilibrate to room temperature in a desiccated environment before opening to minimize moisture condensation. Reseal promptly; consider inert gas backfill.

Solution stability (to be verified experimentally)

• Store DMSO stocks at –20 °C in amber, tightly sealed vials. Avoid repeated freeze–thaw; prepare single-use aliquots.
• For aqueous working solutions, use freshly prepared aliquots and keep on ice or at 4 °C during use, unless stability data support room-temperature handling.

Record-keeping

• Document lot number, date of reconstitution, solvent, concentration, and storage location. Attach CoA/Spec Sheet and SDS in your ELN for ready reference.

Research use note: For research use only.

Structure and Identity

• SKU: W418050
• Product name: WAY-300442
• CAS: 333773-08-3
• Category: Small molecule compound (screening library)
• 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.

Structural features

• Item-specific functional groups, ring systems, and stereochemical information are not provided in the current Product Data. Refer to the CoA/SDS or primary literature for definitive structural details.

Descriptive notes

• WAY-300442 is offered as a discrete small molecule entity for research use only. In the absence of structure metadata, treat it as an unknown with respect to hydrogen-bonding capability, ionization, and polarity until the CoA/Spec Sheet is consulted.

Best practice

• Before use, retrieve the compound’s structural identifiers (SMILES/InChIKey) from the Certificate of Analysis to enable cheminformatics, physicochemical predictions (pKa, logP), and analytical method development (LC–MS MRM transitions).

Synthetic Utility

WAY-300442 is offered as a final small molecule for research use, not as a general-purpose synthetic reagent or building block. Without structural information in the Product Data, no specific functional-group reactivity or named-reaction roles can be ascribed.

If synthetic modification is intended (general guidance)

• Obtain the full structure (SMILES/InChI) and verify functional handles (e.g., halides, amines, acids) before planning derivatizations (amide coupling, SNAr, cross-couplings, etc.).
• Confirm purity and residual metal content if the compound will serve as a starting material in synthesis where trace metals may poison catalysts. No metal specifications are provided here.
• Establish stability toward standard workup conditions (acid/base, aqueous extractions, silica) prior to route scouting.

Analytical readiness

• Develop an LC–MS method that resolves potential isomers/impurities. For chiral entities (unknown here), consider chiral SFC/LC.

Note: Absent explicit structural data, treat this product as a research analyte rather than a synthetic intermediate.

Target Specificity

• Target/Pathway: Not specified for this item; refer to literature and CoA/Spec Sheet if available.
• Mode of action: Not specified for this item.
• Species selectivity: Not specified for this item.
• Assay context: Not specified for this item.

Guidance

• If you intend to use WAY-300442 as a tool compound, validate target engagement with orthogonal assays (e.g., biochemical binding vs cellular functional readouts) and confirm selectivity against close homologs or off-target panels.
• Document batch number and concentration verification to ensure reproducibility across studies.