EMD638683 R-Form - 10mM in DMSO , CAS No.1184940-47-3

CAS: 1184940-47-3 Cat. No.: E655161 Fórmula: C₁₈H₁₈F₂N₂O₄ Peso molecular: 364.34

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

EMD638683 R-Form is the R-form of EMD638683. EMD638683 is a highly selective SGK1 inhibitor with IC 50 of 3 μM.

IC50& Target:SGK1

Specifications

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

EMD638683 R-Form is the R-form of EMD638683. EMD638683 is a highly selective SGK1 inhibitor with IC 50 of 3 μM.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

• Isómeros SMILES: CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)[C@@H](C2=CC(=CC(=C2)F)F)O
• CAS alternativo: 1184940-47-3
• Peso molecular: 364.34
• Reaxy-Rn: 21240670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21240670&ln=

Application Protocols

No vendor-tested application protocols are provided for this SKU.

General starting points for laboratory use (to be optimized by the user):

• Enzyme inhibition assays: Prepare a DMSO stock (10–50 mM). Dilute serially into assay buffer to generate a concentration–response curve. Maintain constant final DMSO across wells (≤0.5%). Include appropriate positive and negative controls.
• Cell-based assays: Dilute the DMSO stock into pre-warmed culture medium to the desired final concentration, ensuring final DMSO typically ≤0.1–0.2% unless cells are known to tolerate higher. Pre-screen for cytotoxicity of vehicle and compound.
• Target engagement (thermal shift/CETSA): Mix compound with target protein/cells over a range of concentrations and follow established protocols for stabilization and detection; optimize for protein abundance and detection sensitivity.

All parameters (concentrations, exposure times) should be empirically determined. This product is for research use only.

Biological Roles

Scope: This section provides general, literature-based context about the compound class. It does not constitute specifications or claims for this SKU.

• Tool-compound role: EMD638683-class molecules are used as small-molecule probes to interrogate kinase-regulated signaling pathways in biochemical and cellular systems (e.g., roles associated with SGK-family kinases in the literature). Researchers deploy such probes to study phosphorylation events, downstream transcriptional programs, and pathway crosstalk.
• Enantiomer considerations: The R-form represents a defined absolute configuration. Enantiomeric purity can impact binding affinity and selectivity for chiral targets such as kinases; comparative studies of R vs S forms are often employed to strengthen target-validation conclusions.
• Assay contexts: In vitro enzyme assays, cellular signaling readouts (e.g., Western blot of phospho-substrates), and target engagement biophysics (nanoDSF, CETSA) are common. Potency metrics (IC50/Ki) are inherently assay- and system-dependent and should not be treated as product specifications.
• Selectivity and off-targets: Literature practices include broad kinome scans to assess selectivity; outcomes vary by platform and conditions. Negative-control enantiomers or structurally related inactive analogs are frequently used to control for chemotype-driven artifacts.

Reminder: For research use only. No use in humans or animals for therapeutic or diagnostic purposes.

Buffer Applications

Not a buffering reagent. This product is a bioactive small molecule used in biochemical/cellular assays rather than as a pH buffer.

Practical formulation notes (general guidance for small-molecule tools):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Store aliquots at −80 °C.
• Aqueous dilution: Add the DMSO stock slowly into well-stirred assay buffer (e.g., HEPES, Tris, or PBS-based systems as appropriate for your assay) to achieve the desired final concentration and ≤0.1–0.5% DMSO.
• Precipitation check: After dilution, visually inspect for haze/precipitate and, if needed, centrifuge or 0.22 μm filter. Avoid surfactants or cosolvents unless validated for your assay.

If a particular buffer system is required for your enzyme/cell model, select based on biological needs; this compound does not itself confer buffering capacity.

Green Alternatives

Applicability: As a bioactive small-molecule tool (not a process solvent or bulk reagent), green chemistry substitution is generally not applicable at the compound level.

Nevertheless, you can apply greener practices to its use:

• Solvent minimization: Use the smallest feasible DMSO stock volumes and prepare higher-concentration stocks to reduce solvent mass.
• Aqueous compatibility: Where possible, formulate with aqueous buffers at low DMSO percentages (≤0.1–0.5%) to lessen organic solvent load.
• Waste reduction: Aliquot to extend shelf life and avoid disposal of degraded material.
• Energy efficiency: Consolidate freezer access and use secondary containment to maintain −80 °C stability while minimizing door-open time.

Comparison of handling choices (general):

• DMSO vs DMF/NMP: Prefer DMSO for biocompatibility and lower hazard classification versus DMF/NMP. Use DMF/NMP only if solubility in DMSO is insufficient and assays tolerate them.

Note: Structural alteration to create a “greener analog” would change biological activity; such substitution is not recommended for mechanism-of-action studies unless the new compound is validated as an equivalent tool.

Pharmaceutical Uses

No pharmaceutical or clinical uses are claimed or supported for this product.

Context for formulation scientists (general information only):

• Excipient status: Not an excipient; this is an investigational research compound for laboratory studies only.
• Preformulation (research): For in vivo-like exploratory studies in model systems (non-clinical lab research), scientists may evaluate solubility, stability, and compatibility with delivery vehicles. Such activities are beyond the scope of this catalog listing and are the responsibility of the end user.
• Regulatory status: Not pharmacopeial; not intended for human or veterinary use.

Strictly for research use only.

Physical Properties

Item-specific properties provided for this SKU:

• 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.

Common physical behavior for bioactive small molecules like EMD638683 (literature/general guidance; not item specification):

• State: Typically supplied as a solid (free base or salt) for preparation of DMSO stock solutions.
• Solubility profile: Frequently soluble in polar aprotic organic solvents such as DMSO and DMF; limited aqueous solubility without co-solvent or surfactant.
• Stability: Most kinase inhibitors are moisture- and light-sensitive to varying degrees; minimize exposure to ambient humidity and light during handling (general practice).

If precise numerical values are required (mp, bp, density, logP, pKa, refractive index):

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

Practical notes (general):

• Prepare concentrated stocks in anhydrous DMSO, then dilute into assay buffers immediately before use to minimize precipitation.
• Filter sterilization (0.22 μm) of final working solutions may be used for cell-based assays where compatible.

Quality and Grades

Item-specific grade/purity provided for this SKU:

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

How to interpret quality for this product class (general guidance):

• Enantiomeric definition: This listing specifies the R-form (single-enantiomer). When provided on the CoA, typical metrics include chemical purity (e.g., HPLC area %), ee/er for stereochemical purity, water content (KF), and residual solvent profile. If these values are critical to your application (e.g., chiral biology, target engagement studies), obtain the batch CoA before use.
• Analytical controls: For small-molecule tool compounds, vendors commonly support identity by NMR and HRMS and purity by HPLC/UPLC. Chiral HPLC/ SFC is used to verify enantiomeric enrichment.
• Functional quality: No bioactivity is warranted or implied; potency/selectivity values in literature should not be treated as specifications and may vary with assay format.
• Stabilizers/Salts: If a stabilizer or specific salt form is used, it will be listed explicitly on the CoA/Spec Sheet. None are specified here.

Recommendation:

• Request the lot-specific CoA for confirmation of purity and enantiomeric ratio prior to critical experiments and for method validation or regulatory filing.

Reaction and Applications

Scope note: EMD638683 R-Form is a bioactive research compound and is not typically used as a synthetic reagent or catalyst.

Research applications (general/literature context for EMD638683-class molecules):

• Target class: Employed as a small-molecule modulator in kinase biology (e.g., SGK-family related studies in the literature). Used to probe phosphorylation-dependent signaling in biochemical and cellular models.
• Assay types: Commonly utilized in enzyme inhibition assays, target engagement/thermal shift assays, and cellular pathway readouts (e.g., reporter assays), subject to lab validation.
• Selectivity profiling: Researchers often perform panel screening to quantify off-target activity across kinases; conditions vary by platform.

Practical usage tips (general):

• Stock preparation: Prepare fresh or thawed DMSO stocks and minimize freeze–thaw cycles; aliquot upon first receipt.
• Light/moisture: Protect from light and moisture during weighing and dissolution.
• Controls: Include vehicle control (matching DMSO %) and, where applicable, an orthogonal tool compound to support mechanistic conclusions.

Note: No specific application data are provided by the manufacturer for this SKU; users should establish assay conditions and performance characteristics empirically.

Reaction Conditions

Not a reagent for chemical transformations; therefore, no synthetic reaction conditions apply to this SKU.

For assay use (general laboratory guidance):

• Stock solution: Prepare in anhydrous DMSO (e.g., 10–50 mM). Vortex and, if necessary, gently warm to ambient temperature to aid dissolution; avoid prolonged heating.
• Working concentrations: Determined empirically based on the assay (e.g., enzyme inhibition or cell-based functional readouts). Perform titrations spanning at least one order of magnitude around expected potency (literature guidance for tool compounds).
• Incubation parameters: Temperature and time depend on the biological system (room temperature for biochemical assays; 37 °C for mammalian cells), with exposure times from minutes to hours as dictated by the endpoint.
• Controls: Include vehicle-only controls and, where possible, orthogonal chemotypes to validate mechanism.

Note: No yield, catalyst, or synthetic-condition data are applicable to this product.

Safety and Handling

Hazard classification provided for this item:

• 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 safety guidance (not a substitute for the SDS):

• PPE: Laboratory coat, safety glasses, and appropriate chemically resistant gloves. Work in a fume hood to avoid inhalation of dust or aerosols.
• Handling: Avoid skin/eye contact and inhalation. Open vials only after they have equilibrated to ambient temperature to prevent condensation ingress when stored at −80 °C.
• Incompatibilities: Strong oxidants and strong acids/bases may degrade heteroaromatic drug-like compounds; keep away from reactive reagents unless intended in a controlled synthesis (general precaution).
• Hygiene: Wash hands thoroughly after handling. Do not eat, drink, or smoke in work areas.
• First aid overview: In case of contact, rinse affected area with water for at least 15 minutes. If inhaled, move to fresh air. If ingested or upon persistent irritation, seek medical advice. Always consult the SDS for authoritative instructions.

Environmental/Disposal:

• Dispose of unused material and contaminated consumables as organic hazardous waste according to institutional and local regulations.

Solvent Selection

Applicability: This product is a bioactive small molecule used for in vitro and cellular studies rather than as a general-purpose solvent.

Practical solvent guidance (general/literature for kinase-tool molecules):

• Primary stock solvent: Anhydrous DMSO is typically preferred due to high solvating power for heteroaromatic compounds and compatibility with biochemical and cell-based assays at low final percentages (≤0.1–0.5% v/v).
• Alternate solvents: DMF, NMP, or ethanol can be considered when DMSO is unsuitable; check assay tolerance and compound stability.
• Aqueous use: For buffers or media, prepare a concentrated DMSO stock (e.g., 10–50 mM), then dilute into the aqueous phase under vigorous mixing to avoid precipitation. Consider surfactants (0.01–0.05% Tween-20) only if compatible with the assay.
• pH effects: If the scaffold contains ionizable groups (common in kinase inhibitors), solubility may change with pH. Employ buffer pH screening to mitigate precipitation in working solutions.

Small comparison (general):

• DMSO: Highest solvating power; widely compatible in bioassays at ≤0.5%.
• Ethanol: Lower solvency; often tolerated by cells to ~0.1–0.5% but can affect membranes.
• DMF/NMP: Strong solvency; ensure biocompatibility at very low final concentrations.

Always verify solubility and stability in your exact assay matrix.

Storage and Reconstitution

Item-specific storage and shipping:

• Storage Conditions: Store at −80 °C.
• Shipped In: Dry ice packs + cold packs.

Reconstitution and handling (general best practices for bioactive small molecules; not item specification):

• Solvent: Use anhydrous DMSO to prepare concentrated stock solutions (e.g., 10–50 mM). If alternative solvents are required (DMF, ethanol), confirm compatibility with your assay.
• Aliquoting: Upon first thaw, immediately aliquot into single-use volumes (e.g., 10–50 μL) in low-bind tubes; refreeze promptly to avoid repeated freeze–thaw cycles.
• Freeze–thaw: Minimize cycles; repeated thawing can lead to degradation or precipitation.
• Light/Moisture protection: Handle quickly at room temperature, cap promptly, and protect from light. Allow vial to equilibrate to room temperature before opening to prevent condensation ingress.
• Working solutions: Prepare fresh on the day of use. If storage is necessary, keep at 2–8 °C for the shortest possible time and verify stability experimentally.

Documentation:

• For lot-specific stability data, solvent recommendations, and any known incompatibilities, consult the CoA/Spec Sheet and SDS for this SKU.

Structure and Identity

Brief overview: EMD638683 R-Form is the R-enantiomer of the research tool compound EMD638683, widely used as a small-molecule modulator in kinase biology studies (research use only).

• SKU: E655161
• Product Name: EMD638683 R-Form (R-enantiomer)
• CAS: 1184940-47-3
• PubChem CID: 66577016
• Category: Small molecules and compound libraries (全部 / 可售 / 小分子和化合物库)

Item-specific identifiers (as 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.
• 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/literature description, not item specification):

• Stereochemistry: Single-enantiomer material corresponding to the R-configuration at the defined stereocenter of EMD638683.
• Functional-group motifs: Typical EMD638683 scaffolds feature heteroaromatic rings and hydrogen-bonding functionality consistent with ATP-site kinase binders (literature, general description).
• 2D structure in words: A compact, heteroatom-rich aryl/heteroaryl framework bearing one stereogenic center; the R-form denotes a specific absolute configuration relevant to target selectivity profiling (literature, general description).

Notes:

• Where exact identifiers (SMILES/InChIKey/formula) are required for regulatory or database use, please consult the product’s CoA/Spec Sheet for this specific SKU.

Synthetic Utility

This product is a finished small-molecule tool compound and is not typically used as a building block or reagent in synthesis.

General synthetic context (literature-level for molecules of this class; not item specification):

• Chirality: The R-form indicates a defined stereocenter. Enantioselective synthesis or chiral resolution/SFC purification are common routes to such materials. Maintaining enantiopurity during any derivatization requires careful control of conditions.
• Derivatization for probes: Medicinal chemists may append linkers or reporter tags (e.g., biotin, fluorophores) to create pull-down or imaging probes, provided the modification preserves binding. Such derivatives are distinct compounds and outside the scope of this SKU.
• Reference purposes: The compound may serve as a reference standard for analytical method development (e.g., LC–MS retention, chiral separation methods) in research settings.

If you require a functional handle for conjugation or SAR exploration, consider ordering related analogs or precursors designed for synthetic manipulation rather than this finished tool.

Target Specificity

Item-specific target/assay validation data are not provided for this SKU.

General note (literature context):

• EMD638683-class compounds are used in kinase biology research to probe defined signaling pathways. Exact potency, selectivity, and off-target profiles are assay-dependent and must be established by each laboratory under its specific conditions.

For authoritative, item-specific data (e.g., target panel, IC50 values, selectivity indices), consult peer-reviewed publications and perform in-house validation. No target specifications are claimed or warranted for this product.