APS-2-79 - 10mM in DMSO , CAS No.2002381-25-9

CAS: 2002381-25-9 Cat. No.: A655147 Formula: C₂₃H₂₁N₃O₃ Molecular Weight: 387.43

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

APS-2-79 is a KSR -dependent MEK antagonist. APS-2-79 inhibits ATP biotin binding to KSR2 within the KSR2-MEK1 complexe with an IC 50 of 120 nM. APS-2-79 makes the stabilization of the KSR inactive state antagonizes oncogenic Ras-MAPK signaling

In Vitro

APS-2-79 (5 μM) suppresses KSR-stimulated MEK and ERK phosphorylation in 293H cells. APS-2-79 (1 μM) enhances the efficacy of the clinical MEK inhibitor trametinib within cancer cell lines containing K-Ras mutationsMCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:KSR2 120 nM (IC 50 ) MEK1

Specifications

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

APS-2-79 is a KSR -dependent MEK antagonist. APS-2-79 inhibits ATP biotin binding to KSR2 within the KSR2-MEK1 complexe with an IC 50 of 120 nM. APS-2-79 makes the stabilization of the KSR inactive state antagonizes oncogenic Ras-MAPK signaling.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

ANTAGONIST

Names and Identifiers

Alternate CAS

2002381-31-7

Molecular Weight

387.43

Application Protocols

No item-specific, validated application protocols are provided for this catalog entry. The following is general, non-binding guidance for small-molecule probe handling in cell/biochemical assays.

General workflow (illustrative only):

• Prepare a concentrated DMSO stock (e.g., 10–50 mM). Aliquot and store at −80°C to minimize freeze–thaw.
• Perform a preliminary solubility check by diluting into assay buffer/media to the highest intended test concentration; inspect for haze/precipitate.
• Run a vehicle control curve (matching DMSO %) and a compound titration (e.g., 8–12 points, 3-fold serial dilutions) to define a response window.
• Confirm target/pathway modulation with orthogonal readouts (e.g., biochemical binding/thermal shift, and a downstream phosphorylation assay) where applicable.

These steps are general best practices and are not specifications or validated methods for this SKU. Consult the primary literature for APS-2-79 for assay-specific details and tailor to your model system.

Biological Roles

Biological information below is provided at a literature level and is not specific to batch or potency of this SKU.

• APS-2-79 is reported as a chemical probe that targets the MAPK signaling axis by binding to the KSR–MEK scaffold complex and stabilizing an inactive conformation (literature). This modulation can attenuate signaling from upstream RAS/RAF to downstream ERK.
• As a tool compound, it is used to dissect scaffold-mediated regulation of kinase cascades, enabling studies of allostery, feedback, and pathway robustness.
• Typical experimental contexts include: biochemical binding assays (e.g., thermal shift/DSF, SPR), cell-based pathway readouts (ERK phosphorylation), and genetic-chemical synergy experiments (KSR or MEK mutants) to map binding determinants (literature).
• Off-target/ADME properties, permeability, and efflux liability are not specified here and should be determined empirically in the user’s system.

No medical, diagnostic, or therapeutic use is intended or implied. For research use only. Users should confirm target engagement and pathway effects in their own models before interpreting biological outcomes.

Buffer Applications

This product is a small-molecule probe and is not itself a buffering agent. Consequently, classical buffer-system recipes (e.g., phosphate, HEPES, Tris) are not applicable.

Practical notes for assay media (general):

• Prepare a high-concentration stock (commonly in DMSO), then dilute into your chosen biological buffer (e.g., HEPES- or phosphate-based) ensuring final co-solvent levels remain within assay tolerance.
• Monitor for precipitation upon dilution; gentle warming or sonication and stepwise dilution into protein-containing media can help maintain solubility.
• Filter sterilize working solutions only if compatible with the compound and assay.

Item-specific buffer compatibility and solubility are not specified for this SKU; consult CoA/Spec Sheet and validate in your assay matrix.

Green Alternatives

While APS-2-79 is not a solvent or reagent that can be substituted directly, greener practices can be applied to its handling and formulation.

Greener choices (general guidance):

• Stock solvents: Prefer DMSO over DMF/DMAC/NMP for biological assays due to lower toxicity and better compatibility; minimize DMSO to ≤0.1–0.5% v/v in final assays.
• Aqueous co-solvents: Consider ethanol or propylene glycol for certain biochemical contexts if compatible; verify solubility and assay tolerance.
• Process intensification: Use microscale assays and high-density plates (384/1536-well) to reduce compound use and solvent waste.
• Workup/waste: Segregate halogenated/non-halogenated solvent waste; favor ACN/water systems for analytical workflows where feasible.

Illustrative comparison (general):

• DMF or NMP: High boiling, reproductive-toxicity concerns; avoid unless strictly necessary.
• 2-MeTHF or CPME: Useful greener solvents for synthetic steps upstream (if you synthesize analogs), but not typically used for assay stocks.

Implement closed systems (sealed plates) to minimize evaporative losses and operator exposure. Review institutional green-chemistry guidelines for screening operations.

Pharmaceutical Uses

This catalog item is supplied strictly for research use and is not intended for human or veterinary use, formulation, or clinical application.

Context (general, non-clinical):

• Compounds like APS-2-79 may be employed in preclinical discovery as tool molecules to interrogate pathway biology, assist in target validation, or serve as reference controls in screening cascades.
• Excipient compatibility, pharmacopeial status, and GMP manufacturing information are not applicable to this research-grade material and are not specified for this item.

If formulation-like studies (e.g., in vitro stability, nanoformulations) are pursued for mechanistic research, perform all work under appropriate institutional approvals and recognize that no clinical use is authorized or supported by this product listing.

Physical Properties

Item-specific physico-chemical data have not been provided for this SKU.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not applicable/unknown for a non-volatile research solid; specific value not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable to solids; not specified for this item.

General handling context (literature/good practice):

• Many bioactive small molecules are dissolved for stock solutions in anhydrous DMSO (e.g., 10–50 mM) and diluted into aqueous buffers with co-solvent below 0.1–0.5% v/v DMSO for cell assays. Confirm the solubility profile for this item from its CoA/Spec Sheet before use.
• Hygroscopicity, polymorphism, or hydrate state—if relevant—should be verified from the CoA/Spec Sheet.

Quality and Grades

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

Interpretation and expectations (general guidance for small-molecule research probes):

• Research-grade library compounds are typically supplied at high chemical purity (commonly ≥95% by HPLC/LC–MS), with identity confirmed by MS and/or NMR; however, no specific guarantees are made here—verify on the item’s CoA.
• If stabilizers, counter-ions, or specific salt forms are present, they will be listed on the CoA/Spec Sheet; none are specified here.
• Chromatographic suitability (e.g., UV cutoff, low background for bioassays) is not specified for this item. If your application is analytically sensitive (LC–MS bioquant, high-content screening), review UV/LC–MS traces on the CoA or request additional QC data.

What to check on receipt:

• Identity and purity (LC–MS/NMR trace), net weight, batch number, and storage instructions consistent with −80°C recommendation.
• If your workflow is assay-critical, consider in-house verification (orthogonal LC method, qNMR) prior to deployment in screening or mechanistic studies.

Reaction and Applications

This product is a bioactive small-molecule probe rather than a synthetic reagent. As such, classical synthetic “reaction applications” (e.g., cross-couplings, nucleophilic substitutions) are not typically relevant for end users.

Research applications (literature; chemical biology):

• APS-2-79 has been reported as an allosteric modulator of the MAPK pathway by stabilizing an inactive conformation of the KSR–MEK complex, thereby influencing downstream ERK signaling (literature). It serves as a tool compound for pathway interrogation, target validation, and mechanistic studies in RAS–RAF–MEK–ERK biology.
• Utility includes temporal control experiments (wash-in/wash-out), combination studies with RAF/MEK inhibitors (pathway epistasis mapping), and use in biochemical binding/thermal shift assays to quantify target engagement (literature-level guidance; verify assay specifics for your system).

Practical tips (general):

• Prepare concentrated DMSO stocks under dry, inert conditions if sensitivity to moisture or oxidation is suspected; aliquot to avoid freeze–thaw.
• Confirm potency windows and cytotoxicity profiles in your cell model prior to mechanistic experiments (e.g., titration over log range with viability readouts). Exact potencies for this SKU are not specified here—consult primary literature and your own QC.

Reaction Conditions

Classical synthetic reaction conditions are not typically applicable to end-use of this product, as it is a finished bioactive probe rather than a reagent.

Assay preparation conditions (general guidance):

• Stock solutions: Commonly prepared at 10–50 mM in anhydrous DMSO; vortex and, if needed, sonicate briefly to ensure complete dissolution. This is general practice, not a specification for this item.
• Working concentrations: Establish via pilot titrations over a logarithmic range with appropriate negative controls (vehicle only). Potency/IC50/EC50 values for this SKU are not provided here—consult literature and verify experimentally.
• Stability: Protect solutions from light and repeated freeze–thaw; use aliquots. Evaluate stability by LC–MS or HPLC over the assay timeframe.
• Temperature: Most biochemical/cellular assays are conducted at ambient to 37°C; confirm no precipitation or degradation under your specific conditions.

For any synthetic manipulation or conjugation involving this molecule, develop conditions de novo based on its verified structure from the CoA/Spec Sheet.

Safety and Handling

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
• Research use note: For research use only. Not for human or veterinary use.

Good laboratory practice (general guidance):

• Wear appropriate PPE: lab coat, safety glasses, and suitable chemical-resistant gloves.
• Handle powders in a fume hood to minimize dust inhalation; avoid aerosol generation.
• Avoid contact with skin, eyes, and clothing. Wash thoroughly after handling.
• Storage incompatibilities: Keep separate from strong oxidizers and strong acids/bases unless verified otherwise by SDS.
• Thermal sensitivity: Store as directed at −80°C. Avoid repeated freeze–thaw of the solid and of any prepared solutions.
• Spill/first aid overview (defer to SDS):
  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
  • Inhalation: Move to fresh air; seek medical attention if symptoms develop.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Always consult the product’s SDS for authoritative hazard, toxicological, and disposal information.

Solvent Selection

Item-specific solubility data are not provided; consult the CoA/Spec Sheet. The following is general guidance for bioactive small molecules in discovery workflows:

• Primary solvent for stock: Anhydrous DMSO is commonly used due to broad solvating power and assay compatibility at ≤0.1–0.5% v/v.
• Alternative organic vehicles (if compatible): DMF or acetonitrile for intermediate stocks; ethanol for certain biochemical assays. Verify stability in chosen solvent.
• Aqueous formulation: Use co-solvent strategies (DMSO 0.1–1% v/v), add surfactants (e.g., 0.01–0.05% Tween-20) or serum proteins (e.g., BSA) as permitted by your assay to mitigate precipitation. Filter through low-protein-binding 0.22 µm filters if needed.
• Polarity/miscibility profile: Not specified for this item; refer to CoA/Spec Sheet. As a general note, many kinase-pathway probes are moderately lipophilic and water-insoluble, benefiting from DMSO first-dissolution.

Comparison (general):

• DMSO vs DMF: DMSO offers better biocompatibility but can affect cell membranes at higher %; DMF is less preferred biologically but sometimes improves solubility.
• DMSO vs ACN: ACN is volatile and assay-incompatible at appreciable levels; useful for analytical dilutions.

Always confirm absence of precipitation visually and analytically (UV/Vis, HPLC) in the working assay medium.

Storage and Reconstitution

• Storage conditions (from Product Data): Store at −80°C.
• Shipping: Shipped on dry ice packs + cold packs.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance; not item-specific):

• Allow the sealed container to equilibrate to room temperature in a desiccator before opening to prevent condensation.
• Prepare initial stocks in anhydrous DMSO at a convenient concentration (e.g., 10–50 mM), if compatible; vortex and, if necessary, brief sonication to aid dissolution.
• Sterile-filtration of stocks is optional and should be assessed for compatibility; use low-binding filters if needed.
• Aliquot stocks into single-use portions and store at −80°C. Avoid repeated freeze–thaw cycles.
• For working solutions, dilute into assay buffer/media immediately before use; verify that final co-solvent levels are within assay tolerance and that no precipitation occurs.

Stability/shelf life: Not specified for this item; refer to CoA/Spec Sheet and SDS. Always follow institutional policies for storage, labeling, and disposal.

Structure and Identity

• Product name: APS-2-79 (research probe; small molecule)
• CAS: 2002381-25-9
• PubChem CID: 121499159
• 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 (general information; literature):

• APS-2-79 is reported in the chemical biology literature as a small-molecule modulator of the RAS–RAF–MEK–ERK (MAPK) pathway, functioning allosterically at the scaffold protein KSR–MEK complex (literature).
• Typical attributes of this class include a heteroaromatic core and H-bond donor/acceptor motifs suited for protein–ligand interactions; the exact functional groups for this SKU are not specified here.

2D structure (descriptive, literature-level):

• Reported structures of APS-2-79 depict a compact, polyheteroatom framework consistent with kinase-scaffold binding; precise ring systems and substituents for this catalog item should be confirmed from the CoA/Spec Sheet or primary literature.

Synthetic Utility

APS-2-79 is provided as a finished probe molecule and is not typically used as a synthetic building block or reagent.

General considerations (for medicinal chemistry/analogue work; literature-level):

• Reported scaffolds for APS-2-79 analogs feature heteroaromatic cores and strategically placed H-bonding motifs to modulate KSR–MEK binding. SAR often focuses on ring electronics, planarity, and substituent vectoring to maintain allosteric engagement.
• If users synthesize analogs, typical transformations might include heteroaryl coupling (e.g., Suzuki/Negishi), amide or urea formations, and late-stage N/O-alkylations. Choice of protecting groups and orthogonal deprotections should accommodate sensitive heteroaryl pharmacophores.
• Purification is often by reverse-phase preparative HPLC to achieve high purity suitable for bioassays.

For this SKU, no reactive handles or functional group distribution are specified—consult primary literature or CoA if planning derivatization or immobilization.

Target Specificity

• Item-specific target details, binding constants, and selectivity profiles are not provided for this SKU; refer to CoA/Spec Sheet and primary literature.

Literature context (not item-specific):

• APS-2-79 has been described as an allosteric modulator of the KSR–MEK complex within the MAPK pathway, influencing ERK signaling. Exact KD/IC50 values, selectivity against related scaffolds (e.g., RAF/MEK allosteric sites), and cellular target engagement should be determined in the user’s system.

No antibody/biologic target properties (epitope, clone, isotype) apply to this small-molecule product.