SphK2-IN-3 , CAS No.S1435587

CAS: S1435587 Cat. No.: S1435587 Fórmula: C₂₅H₂₄Cl₂N₂O₃ Peso molecular: 471.38

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

SphK2-IN-3 (compound 12q) is a selective active sphingosine kinase-2 inhibitor. SphK2-IN-3 has anti-proliferative activity against various cancer cells, inducing G2 phase arrest and apoptosis in liver cancer cells HepG2.

Specifications

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Peso molecular

471.38

Application Protocols

No vendor-validated application protocols or recommended dilutions are provided for this SKU.

• Tested applications (e.g., enzyme inhibition assays, cell-based assays): Not specified for this item; refer to CoA/Spec Sheet.
• Positive controls/assay references: Not specified for this item; refer to CoA/Spec Sheet.

Guidance:

• Follow your laboratory’s established SOPs for handling small-molecule inhibitors. Determine working concentrations empirically based on your assay format and readout. Always include vehicle controls and, when possible, benchmark inhibitors for comparison.

For research use only.

Biological Roles

General background (literature/general):

• Sphingosine kinases (SphK1 and SphK2) phosphorylate sphingosine to produce sphingosine-1-phosphate (S1P), a potent bioactive lipid that regulates proliferation, survival, migration, and angiogenesis via intracellular targets and extracellular GPCRs (S1P1–S1P5).
• SphK2 differs from SphK1 in subcellular localization (nucleus, mitochondria, ER) and in certain substrate and regulatory interactions, influencing epigenetic regulation (via nuclear S1P effects on HDACs) and mitochondrial function.
• Chemical probes that modulate SphK2 activity are employed to dissect sphingolipid metabolism, S1P signaling gradients, and crosstalk with apoptosis/autophagy pathways.

Use of SphK2-directed small molecules (general guidance):

• In vitro enzyme assays: quantify conversion of sphingosine to S1P using radiometric, fluorescent, or LC-MS readouts to determine potency and mechanism (competitive/noncompetitive) of test compounds.
• Cellular studies: evaluate downstream biomarkers (e.g., intracellular S1P levels, gene-expression changes linked to HDAC modulation, or signaling via ERK/AKT) with appropriate controls.
• Selectivity profiling against SphK1 and other lipid kinases is recommended to interpret phenotypes, given overlapping functions and potential compensatory pathways.

Item-specific biological function of SphK2-IN-3 is not provided in the Product Data; consult primary literature and the product CoA for definitive characterization before experimental use.

Buffer Applications

This item is a bioactive small molecule and not a buffering agent.

• Buffer capacity, pH ranges, and recipe details are not applicable.
• For assay work, select a buffer system compatible with lipid kinase assays and small-molecule carriers (e.g., HEPES or Tris with Mg2+ as needed), and ensure the final organic solvent (e.g., DMSO) content remains within tolerated limits for your system.

Item-specific buffer recommendations: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

Not typically applicable to a discrete bioactive small molecule used as a research tool.

Context (general):

• “Green alternatives” comparisons are most meaningful for interchangeable solvents or reagents (e.g., replacing THF with 2-MeTHF). For a target-specific inhibitor, substitution changes the research tool itself and may alter biological outcomes.

Practical considerations:

• If your goal is to minimize environmental impact during handling and preparation, focus on greener diluents/vehicles (e.g., aqueous buffers, ethanol over halogenated solvents where assay-compatible) and minimize DMSO percentages consistent with assay requirements.
• Implement microscale assays, closed-vial handling, and proper waste segregation to reduce overall environmental footprint.

Pharmaceutical Uses

No formulation or pharmacopeial information is provided for this SKU.

• Status (USP/EP, excipient role): Not specified for this item; refer to CoA/Spec Sheet.

General considerations (non-clinical, research only):

• Small-molecule inhibitors used in research are sometimes formulated as DMSO stocks for in vitro use or prepared in biocompatible vehicles (e.g., aqueous buffer with minimal co-solvent) for ex vivo models. Any in vivo or clinical formulation use is outside the scope of this catalog and not supported.
• If formulation studies are pursued in a research context, determine compound-specific solubility, stability, and pH sensitivity. Consider salt formation only if the chemical identity and pKa are known from the CoA.

Note: For research use only. Not for human or veterinary use.

Physical Properties

Item-specific physical parameters are not provided.

• State/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 applicable/unknown for a high-MW organic solid; 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, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/general):

• Many kinase inhibitors are organic solids with poor aqueous solubility and are commonly prepared as DMSO stock solutions (e.g., 10–50 mM) and diluted into assay buffers with final DMSO ≤0.1–0.5% v/v to minimize solvent effects.
• Ionization behavior (pKa) and lipophilicity (logP/logD) strongly influence permeability and target engagement; verify values for this specific item before planning experiments.
• If hygroscopicity or polymorphism is relevant, it will be noted on the CoA; otherwise, verify by DSC/TGA or Karl Fischer as needed for critical applications.

Quality and Grades

Item-specific grade and purity are not provided in the Product Data for this SKU.

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

Guidance on interpreting grades (general):

• Research-grade bioactive small molecules are typically qualified by identity (e.g., NMR, MS) and purity (e.g., HPLC/UPLC area %). When available, the CoA will list residual solvent levels, water content, and assay method.
• For screening collections or chemical libraries, batch-to-batch consistency, salt form confirmation, and counter-ion content can impact potency and solubility; verify via CoA.
• Low-UV impurity requirements (e.g., HPLC grade) apply primarily to solvents. For small molecules, focus on chromatographic purity and identity confirmation.

Stabilizers and form (general):

• If a stabilizer, salt form, or specific polymorph is used, it will be declared on the CoA. Absence of such information here means it is not specified for this item.

Recommendations:

• Request the latest CoA/specification sheet before use in SAR, cell-based, or enzymatic studies.
• For critical assays, consider orthogonal purity checks (qNMR, HRMS, UPLC photodiode array) to confirm composition and integrity on receipt.

Reaction and Applications

This product is a bioactive small molecule intended for research use rather than a synthetic reagent.

• Synthetic reaction applications (e.g., as a solvent, catalyst, or coupling partner) are not typically applicable for this item.
• If you require building-block functionality or derivatization chemistry, please consult the structure on the CoA; in the absence of structural data here, no reaction guidance can be provided.

Research usage (general):

• Small-molecule inhibitors labeled for SphK2 are generally used in biochemical enzyme assays, target engagement studies, and cellular pathway modulation experiments. Specific application details for this SKU are not provided; verify with your internal protocols and the product’s CoA/SDS.

Reaction Conditions

Not applicable in the conventional synthetic sense for this bioactive small molecule.

General experimental conditions for bioassays (literature/general; not item-specific):

• Enzyme assays: optimize buffer (e.g., 25–50 mM HEPES, pH 7.4), Mg2+ (as required), detergent or BSA to manage lipid substrates, and maintain DMSO ≤0.1–0.5% v/v. Temperature commonly 25–37°C with reaction times 10–60 minutes.
• Cellular assays: typical compound treatment ranges 0.01–10 µM with time courses from 1–48 h, guided by literature potency and cell tolerance. Verify cytotoxicity and target engagement markers.

Note: The above are general practices for kinase inhibitor studies and are not specifications for this item. Consult your assay SOPs and the product CoA/SDS.

Safety and Handling

Hazard classification details are not provided in the Product Data.

• 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 while wearing appropriate PPE: lab coat, safety glasses, and chemically resistant gloves (e.g., nitrile). Avoid inhalation of dust or aerosols and contact with skin/eyes.
• Avoid ingestion and environmental release. Use dedicated tools for weighing bioactive small molecules to prevent cross-contamination.
• Storage incompatibilities: Keep away from strong oxidizers and strong acids/bases unless compatibility is known. Protect from moisture and light until specific stability data are available.
• First aid (overview; refer to SDS for authoritative guidance):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: Rinse with plenty of water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Waste and spills:

• Collect spills with inert absorbent, avoid dust generation, and dispose of as hazardous organic waste in accordance with institutional and local regulations.

Note: Always consult the SDS specific to this SKU for definitive hazard and exposure controls.

Solvent Selection

Item-specific solubility and solvent preferences are not provided.

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

General guidance for bioactive small molecules (literature/general):

• DMSO is commonly used to prepare concentrated stocks (e.g., 10–50 mM) for kinase inhibitors, followed by dilution into aqueous buffers (HEPES, Tris, PBS) with final DMSO typically ≤0.1–0.5% v/v.
• Alternative aprotic solvents for pre-dissolution include DMF or NMP; use only if compatible with your assay system and at minimal final concentrations.
• For poor DMSO solubility, co-solvent systems (DMSO + PEG400 or DMSO + ethanol) can be explored. Conduct solubility screening and monitor for precipitation upon dilution.

Polarity/miscibility (general):

• DMSO: polar aprotic, fully miscible with water; excellent for stock preparation but may affect enzyme activity at higher percentages.
• Ethanol/MeOH: protic, water-miscible; may alter membrane integrity in cellular assays at >0.5–1% v/v.

Practical tips:

• Warm gently (room temperature to 37°C) and vortex/sonicate to aid dissolution; avoid prolonged heating.
• Filter sterilize final working solutions if required by assay, using solvent-compatible membranes (e.g., PTFE for organic-rich solutions).

Storage and Reconstitution

Storage (item-specific):

• Store at −20°C.
• Shipping: Ice chest + ice pads (as provided in Product Data).

Additional handling guidance (general):

• Protect from light and moisture. After first opening, promptly re-cap under dry air or inert gas if available, and return to −20°C. Allow the container to equilibrate to room temperature before opening to minimize moisture condensation.
• If aliquoting, use clean, dry, solvent-compatible vials. Minimize freeze–thaw cycles.

Reconstitution (not item-specific; verify solubility on your sample):

• Solvent selection is not specified for this item; refer to CoA/Spec Sheet. As a general practice for bioactive small molecules, prepare a concentrated DMSO stock (e.g., 10–50 mM) if compatible, then dilute into assay buffer to the desired working concentration while keeping final DMSO low (≤0.1–0.5% v/v) unless your system tolerates more.
• Inspect solutions for haze or precipitate upon dilution; if observed, reduce concentration, adjust co-solvent percentage, or gently warm and vortex/sonicate.

Stability:

• Compound-specific stability in solution is not specified; prepare fresh working solutions and store frozen aliquots of concentrated stocks when long-term use is anticipated. Always defer to the CoA/SDS for definitive guidance.

Structure and Identity

Item-specific identifiers are not available in the Product Data for this listing.

• SKU: S1435587
• Product Name: SphK2-IN-3
• CAS: 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: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

General notes (literature/general):

• “SphK2-IN-3” is a naming convention typically used for small-molecule inhibitors targeting sphingosine kinase 2 (SphK2). Without a provided structure, specific functional groups, ring systems, or stereochemistry cannot be described for this item.
• If structure is provided in the future (SMILES or InChI), we can describe 2D features such as aromatic heterocycles, amide/urea linkages, or ionizable centers often found in kinase-directed chemotypes. Until then, please consult the product CoA or specification sheet for definitive identity data.

Synthetic Utility

Not typically applicable. This product is offered as a bioactive research compound rather than a synthetic building block or reagent.

• Without structural information (functional groups, handles), no guidance can be offered on coupling strategies, protecting-group compatibility, or derivatization.
• If derivatization or probe development (e.g., biotinylation, photoaffinity tags) is desired, request full structural data from the CoA and assess feasible attachment points using SAR/literature precedents for SphK2-targeted chemotypes.

Target Specificity

Item-specific target validation data are not provided in the Product Data for this SKU.

• Intended target (name, KD/IC50, selectivity vs SphK1 or other kinases): Not specified for this item; refer to CoA/Spec Sheet and primary literature if available.
• Species reactivity and off-target panels: Not specified for this item; refer to CoA/Spec Sheet.

Recommendation:

• Perform or consult orthogonal profiling (biochemical IC50/Ki, cellular EC50, and selectivity panels) to confirm target engagement under your assay conditions.

Perguntas frequentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is S1435587, the molecular formula is C25H24Cl2N2O3, and the molecular weight is 471.38 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.