WAY-327955 - 10mM in DMSO , CAS No.687591-06-6

CAS: 687591-06-6 Cat. No.: W425501 Formule: C₂₁H₂₀ClN₃O₄S Poids moléculaire: 445.92

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

caspase enzyme inhibitor

Specifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

ClC1=C(CNC(=O)C2=CC(=O)NC3=CC=C(C=C23)[S](=O)(=O)N4CCCC4)C=CC=C1

Poids moléculaire

445.92

Application Protocols

No vendor-validated protocols are provided for WAY-327955 in this listing.

General handling protocol for small-molecule library members (research use only):

• Equilibrate the vial to room temperature in a desiccator before opening to prevent moisture condensation.
• Prepare a concentrated stock solution in anhydrous DMSO (e.g., 10–50 mM). Vortex and, if necessary, sonicate briefly to fully dissolve. Optionally, sterile-filter through a 0.2 µm PTFE/PVDF filter for cell-based assays.
• Aliquot into low-bind tubes (single-use), label with concentration, date, and lot, and store at −80°C.
• For assays, thaw an aliquot once, dilute into buffer or media to the desired final concentration, keeping DMSO constant across controls. Discard any unused thawed material; avoid refreezing to limit degradation and concentration drift.

Note: Specific applications (e.g., WB, IHC, IF, FC) are not applicable to small molecules and are not provided here.

Biological Roles

No biological function, target, or pathway information is provided for WAY-327955 in the current product data.

• Because the structure and target are unspecified here, do not assume activity against any enzyme, receptor, or pathway. If using for screening, treat it as an unannotated chemical matter entry until validated.
• If you obtain a structure from the CoA or literature, cheminformatics (substructure alerts, PAINS filters, calculated physicochemical properties) can help triage and guide assay selection.
• For cell-based assays, assess cytotoxicity independently (e.g., resazurin/ATP-based viability) across the intended concentration range to establish non-perturbing solvent and compound levels.
• Consider plasma protein binding, permeability (PAMPA/Caco-2), and microsomal stability only after structural confirmation; such data are not provided here and should not be inferred.

Research-use notice: This product is supplied strictly for laboratory research use only. It is not for diagnostic, therapeutic, or in vivo clinical applications.

Buffer Applications

No buffer system or pKa information is available for WAY-327955. As such, it is not positioned as a buffering reagent.

Practical notes for assay buffers with small-molecule stocks:

• Prepare a concentrated DMSO stock and dilute into pre-equilibrated assay buffer (e.g., PBS, HEPES, Tris) keeping final DMSO as low as assay performance allows.
• To mitigate precipitation, add the compound stock last with mixing, or perform stepwise pre-dilutions in buffer containing the final DMSO percentage.
• Filter clarified solutions through 0.2 µm PTFE/PVDF if particulate is observed. Avoid strong acid/base adjustments unless stability has been verified for the compound.

If you intend to use WAY-327955 as a buffer component, first confirm ionizable groups and pKa values from structural data—these are not specified for this item.

Green Alternatives

Given the absence of structural and application details, specific greener substitutions for WAY-327955 cannot be recommended. However, you can reduce environmental impact in typical handling scenarios for small-molecule libraries.

• Solvent choices:
  • Prefer ethanol or 2-propanol over methanol where feasible in workup and cleaning.
  • Use acetonitrile judiciously; consider ethanol/water or ethyl acetate for extractions when compatible.
  • For synthetic steps (if applicable), consider bio-based solvents (2-MeTHF, CPME) and water-mediated transformations when the compound’s stability allows.
• Operational practices:
  • Minimize DMSO stock volumes via high-concentration aliquots to reduce solvent waste.
  • Employ microplate formats and miniaturized assays to cut reagent consumption.
  • Consolidate analytical runs and use gradient methods optimized for shortest viable run times.
• Waste management: Segregate halogenated vs non-halogenated waste. Use solvent recovery where permitted.

Trade-offs: Green solvent substitutions may affect solubility, assay signal, and stability. Validate any change with small-scale tests before broad implementation.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for WAY-327955. This product is supplied for research use only and is not intended for human or veterinary use.

General formulation considerations for research compounds (non-clinical, in vitro/in vivo exploratory only under appropriate approvals):

• If solubility is limiting, common research vehicles include DMSO-based co-solvent systems, PEG400, cyclodextrins, or lipidic carriers. Validate chemical stability and assay compatibility first.
• For in vitro work, maintain consistent vehicle composition across treatments and controls. Monitor for precipitation upon dilution into aqueous media.
• For any regulated application or preclinical development, obtain full structural and analytical data and confirm impurity profiles; none are specified here.

Note: No therapeutic claims are made or implied. This item is not qualified to any pharmacopeial monograph based on the provided data.

Physical Properties

Item-specific physicochemical data are not provided in this listing.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not available here; consult CoA or literature for CAS 687591-06-6.
• Boiling point (literature): Not available here.
• Density (literature): Not available here.
• Solubility: Not specified for this item; typical practice for small-molecule library members is to prepare a DMSO stock (e.g., 10–50 mM) and, if needed, dilute into assay buffers with careful control of final DMSO percentage.
• LogP, pKa, refractive index: Not available here; can be estimated from a confirmed SMILES/InChI using cheminformatics tools (literature/computed values only, not product specifications).

Important notes:

• Where exact properties are critical (e.g., crystallographic work, formulation), use the batch CoA and analytical data. Do not treat literature values as product specifications.
• Hygroscopicity, polymorphism, and solvate state (if any) are not specified; handle under dry conditions until confirmed.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• For small-molecule library members, suppliers typically provide a defined purity by HPLC/UPLC (e.g., ≥95%) and identity confirmation by LC–MS/HRMS and/or 1H NMR. Because this listing does not specify these values, confirm lot-specific data on the CoA before critical applications.
• Analytical expectations (general):
  • HPLC purity methodology (UV/ELSD/charged aerosol) and detection wavelength should be stated on the CoA; low-UV chromophores may require ELSD/CAD.
  • Identity confirmation via exact mass (ESI±), and, where applicable, isotopic pattern fits or diagnostic fragments. NMR may be provided for complex structures or stereochemical assignment.
• Impurity/stabilizer information: Not specified for this item; refer to CoA/Spec Sheet. If a stabilizer or counter-ion is present, it will be declared on the lot documentation.
• What the grade means for end users: For screening and medicinal chemistry, purity thresholds influence assay background and SAR fidelity. If using in biophysical assays (SPR, ITC, DSF), consider additional purification or orthogonal characterization to mitigate aggregation/PAINS artifacts.
• Batch-to-batch considerations: Verify water content (KF), residual solvents, and salt form (free base vs. hydrochloride, etc.) on the CoA when available, as these affect molarity calculations and solubility.

Reaction and Applications

This listing is part of a small-molecule/compound library. No specific synthetic or biological application is provided for WAY-327955 in the current product data.

• Discovery screening (general): Compounds of this class are commonly used as tool candidates in biochemical, biophysical, or cell-based assays to explore structure–activity relationships (SAR). Without target information, use unbiased screening modalities (e.g., phenotypic assays) or computational triage to prioritize testing.
• Assay compatibility: Prepare DMSO stocks, filter if necessary, and maintain consistent final organic solvent percentages across wells/conditions. Include vehicle controls to deconvolute solvent effects.
• Orthogonal follow-up (general guidance): To exclude assay interference, consider counterscreens (redox cycling, detergent-sensitive aggregation), orthogonal readouts (MS-based enzyme assays), and spectroscopic checks for inner-filter effects if the assay is fluorescence-based.
• Analytical support: LC–MS methods (water/acetonitrile + 0.1% formic acid or ammonium acetate) can be developed for stability and purity tracking. If the salt form is unknown, scan both positive and negative ion modes.

Note: No named reactions or reagent roles are attributed to this item from the provided data. If you intend to use WAY-327955 as a synthetic building block or reagent, first confirm the structure and functional handles from the CoA or primary literature.

Reaction Conditions

No reaction conditions are provided for WAY-327955, and the absence of structural information precludes meaningful guidance on specific transformations.

If employing this compound in synthesis after structure confirmation:

• Select solvents and bases/acids appropriate to the identified functional groups (e.g., amide couplings in DMF/DCM with carbodiimides or uronium reagents; cross-couplings in polar aprotic solvents with Pd catalysts; protection/deprotection under acid/base as warranted).
• Validate thermal stability by DSC/TGA or analytical monitoring before heating.
• Establish moisture/oxygen sensitivity empirically; use inert atmosphere and anhydrous conditions when in doubt.
• Track reaction progress by LC–MS and/or TLC, and confirm identity/purity of products with orthogonal methods.

Because no structure or reactivity profile is given, treat any conditions mentioned above as general examples only, not recommendations for this specific item.

Safety and Handling

Safety profile for this item is not fully listed here. Always review the official SDS for authoritative information.

• GHS Classification / Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
• Primary hazards: Unknown for this entry; treat as a general laboratory chemical of uncertain toxicity. Avoid inhalation, ingestion, and skin/eye contact. Use in a chemical fume hood.
• Personal protective equipment (PPE): Lab coat, safety glasses or chemical splash goggles, and appropriate chemically resistant gloves (e.g., nitrile). Consider double-gloving for DMSO solutions given enhanced dermal transport.
• Engineering controls: Handle powders/solids with local exhaust or in a hood. Use containment during weighing to minimize aerosolization.
• Storage incompatibilities: Without structural information, avoid strong oxidizers, strong acids/bases, and reducing agents until compatibility is known. Keep desiccated and protected from light if photo- or moisture-sensitivity is suspected.
• First aid (overview): If inhaled—move to fresh air; seek medical attention. Skin contact—wash with soap and water, remove contaminated clothing. Eye contact—rinse with water for ≥15 minutes, seek medical attention. If swallowed—rinse mouth, seek medical attention. Follow SDS instructions.
• Spill/accidental release: Avoid dust formation. Absorb solutions with inert material. Collect waste in labeled containers for hazardous disposal.
• Firefighting measures: Use CO2, dry chemical, or foam. Combustion products unknown; firefighters should wear self-contained breathing apparatus.
• Waste disposal: Dispose of as hazardous chemical waste in accordance with institutional and local regulations.

Solvent Selection

Because the structure and polarity are not specified here, begin with broadly compatible solvents used for screening compounds.

• Primary stock solvent (general best practice): Anhydrous DMSO. Prepare concentrated stocks (e.g., 10–50 mM) and store as single-use aliquots at −80°C to minimize freeze–thaw.
• Co-solvent strategies: For aqueous assays, dilute DMSO stocks into buffer keeping final DMSO ≤0.1–1% v/v when possible. If precipitation occurs, consider adding co-solvents such as acetonitrile or ethanol at low percentages compatible with the assay.
• Alternative solvents (general):
  • Polar aprotic: DMF, NMP (enhanced solubility but higher toxicity; handle with care).
  • Protic: Methanol, ethanol (watch for ester/amide exchange if functional groups are susceptible; unknown here).
  • Nonpolar: Ethyl acetate, MTBE, toluene (more applicable to workup/extraction if the solid is sufficiently lipophilic).
• pH adjustment: If the compound is ionizable (unknown here), modest pH shifts of the aqueous phase can promote solubility; verify compound stability to acid/base before using this approach.
• Filtration: Use 0.2 µm PTFE or PVDF syringe filters for solution clarification. Avoid nylon if amide-sensitive species are suspected.

Selection tip: Start with DMSO at room temperature, sonicate briefly if needed, then perform a small-scale serial dilution into your intended assay buffer while visually monitoring for precipitation or turbidity.

Storage and Reconstitution

• Storage Conditions (from Product Data): Store at −80°C.
• Shipping (from Product Data): Shipped on dry ice packs + cold packs.

Best practices for stability and handling:

• Keep the product frozen at −80°C in a desiccated, light-protected environment. Minimize time at ambient temperature. If the vial is received on dry ice, transfer to −80°C promptly upon receipt.
• Before opening, allow the container to equilibrate to room temperature in a desiccator to avoid moisture uptake and condensation.
• Prepare concentrated stock solutions in anhydrous DMSO under dry conditions. Typical screening stocks are 10–50 mM; choose higher concentrations to minimize freeze–thaw and dilution errors. Exact solubility for this item is not specified—verify empirically.
• Aliquot stocks into single-use, low-bind tubes, excluding headspace where feasible to limit oxidative/moisture exposure. Clearly label with compound ID, concentration, lot, and date.
• Avoid repeated freeze–thaw cycles. Thaw an aliquot once immediately before use; do not refreeze leftovers.
• For aqueous working solutions, use freshly prepared dilutions and discard after the experiment unless stability has been verified. Protect from light if chromophoric groups are suspected (structure not provided).

Additional notes:

• Appearance, stabilizers, and exact solubility are not specified for this item; refer to CoA/Spec Sheet.
• Research use only; follow institutional chemical hygiene plans and SDS guidance.

Structure and Identity

Brief description: WAY-327955 is listed in our small-molecule/compound library collection. Item-specific structural identifiers are not provided in the current listing.

• Product Name: WAY-327955 (SKU: W425501)
• CAS: 687591-06-6
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: 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.

Structural features (general guidance):

• As structural data are not supplied here, specific functional groups, ring systems, or stereochemical elements cannot be confirmed for this item.
• For unambiguous identification, consult the Certificate of Analysis (CoA), Specification Sheet, or SDS for structure-defining identifiers (SMILES/InChI) associated with CAS 687591-06-6.

Notes for cheminformatics workflows:

• Provide the SMILES or InChI (from CoA) to register in ELNs/LIMS and to compute derived properties (logP, pKa estimates, polar surface area, etc.).
• If multiple stereochemical records exist in literature databases for the CAS, verify that the vendor batch matches the intended isomer using NMR/MS data that accompany the lot (if available).

Synthetic Utility

Synthetic utility cannot be described without structural information. The functional groups, potential coupling handles, and reactivity patterns for WAY-327955 are not specified in the product data.

General guidance if using library compounds synthetically:

• Obtain the exact structure (SMILES/InChI) and any salt/counter-ion information from the CoA.
• Confirm functional group integrity by NMR/LC–MS prior to key transformations, and check for protecting groups or labile motifs.
• If used as a reference standard or comparator, qualify purity by orthogonal methods (e.g., HPLC-UV plus qNMR) to ensure accurate mass balance in calibrations.

Until structure is confirmed, avoid planning named reactions or retrosynthetic routes based on assumptions.

Target Specificity

Target/epitope specificity is not applicable to this chemical reagent, and no biological target annotations are provided.

• No antigen, epitope, clone, isotype, or species reactivity information is associated with this item.
• If literature links WAY-327955 to a biological target, verify that the structure, stereochemistry, and salt form match your lot before extrapolating any reported activity. Such information is not provided in this listing.

Foire aux questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 687591-06-6, the molecular formula is C21H20ClN3O4S, and the molecular weight is 445.92 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.