SphK1-IN-1 , CAS No.S1435593

CAS: S1435593 Cat. No.: S1435593 Formula: C₂₂H₂₂N₆O₂ Peso molecolare: 402.45

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

SphK1-IN-1 (compound 48) is a SphK1 inhibitor with effective antitumor activity. SphK1-IN-1 inhibits SphK1 ATPase with an IC 50 value of 4.02 μM. SphK1-IN-1 can be used for the research of cancer.

Specifications

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.

Nomi e identificatori

Peso molecolare

402.45

Application Protocols

No tested applications, assay formats, or recommended dilutions are provided in the product data for this item. In accordance with catalog policy, only product-validated application protocols would be listed here.

• For protocol development, consult primary literature for SphK1 biochemical and cellular assays and adapt conditions to your instrumentation and detection method.
• Maintain rigorous controls (vehicle, positive/negative controls) and verify compound stability/solubility under assay conditions.

For any vendor-supplied protocol or validation data, refer to the CoA/Spec Sheet.

Biological Roles

Context for SphK1 targeting (literature, general; not specific to this item):

• Sphingosine kinase 1 (SphK1) phosphorylates sphingosine to form sphingosine-1-phosphate (S1P), a bioactive lipid that regulates cell survival, proliferation, migration, vascular integrity, and immune cell trafficking.
• The sphingolipid rheostat concept highlights the balance among ceramide, sphingosine, and S1P; SphK1 activity shifts this balance toward S1P production. Spatial regulation is critical: SphK1 translocates to membranes upon activation, influencing local S1P signaling.
• S1P signals both intracellularly and via five G-protein-coupled S1P receptors (S1PR1–5). Modulation of SphK1 therefore impacts both intracellular lipid signaling and extracellular paracrine/autocrine pathways.
• Tool compounds that inhibit SphK1 are used to dissect roles of lipid kinases in processes such as stress responses, angiogenic signaling, and cytokine pathways. They also help parse SphK1 vs SphK2 contributions by comparative pharmacology.

Practical considerations (general):

• Confirm on-target engagement with biochemical assays or target engagement techniques, and verify effects on S1P levels with lipidomics where feasible.
• Because lipid metabolism is interconnected, orthogonal controls (genetic knockdown/knockout, structurally distinct inhibitors) strengthen mechanistic conclusions.

Note: No item-specific potency, selectivity, or structure is provided here; consult the CoA/Spec Sheet and primary literature when integrating this tool compound into biological studies.

Buffer Applications

This product is not a buffering agent. However, buffers are integral to assays in which SphK1 tool compounds are used.

General guidance (not item-specific):

• Biochemical SphK assays commonly use HEPES or Tris buffers (pH 7.4–7.5) with Mg2+ and ATP, plus detergents (e.g., 0.05–0.1% Triton X-100 or similar) to solubilize lipid substrates. Maintain constant DMSO across conditions.
• For cell-based work, use standard culture media and add compound from a DMSO stock. Ensure final DMSO concentration is consistent across controls.
• Avoid phosphate buffers if they chelate or interfere with cofactors in your specific assay configuration; validate buffer composition for enzyme activity and compound stability.

Item-specific buffer capacity, pKa, or solubility adjustments are not available; refer to the CoA/Spec Sheet and SDS.

Green Alternatives

While this item is a small-molecule tool compound (not a solvent or reagent heavy in volume), greener choices largely relate to solvent and process decisions during its use:

Greener dissolution and assay preparation (general recommendations; not item-specific):

• Prefer water or buffered aqueous media whenever chemically feasible. If not, minimize DMSO/DMF/NMP volumes by preparing higher-concentration stocks and performing accurate microdosing.
• Replace DMF/NMP with more benign co-solvents when possible (e.g., ethanol, propylene glycol, PEG 400, or hydroxypropyl-β-cyclodextrin complexes), subject to biological compatibility.
• Reduce waste by designing assays with minimal well volume, using acoustic or pin tools for low-nL dosing, and scaling down confirmatory studies.
• Adopt closed, amber microvials to extend stock longevity and reduce repeat preparations.

Comparison of common vehicles (general):

• DMSO: High solvency; moderate environmental/health profile; limit final assay %.
• Ethanol/IPA: Renewable routes possible; more volatile; may affect membranes.
• Aqueous + cyclodextrin: Improved safety/environmental profile; may alter free concentration—requires calibration.

Lifecycle considerations:

• Consolidate shipments and use cold-chain only as needed (this item ships on ice packs per listing). Plan experiments to minimize repeated cold shipments and thereby reduce environmental footprint.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or GMP-related information is provided for this item. It is supplied strictly for research use only.

General context (not item-specific):

• Tool inhibitors of kinases are commonly utilized in discovery research, target validation, and mechanism studies. Transition to any clinical or manufacturing application would require extensive development: impurity profiling, stability studies under ICH conditions, specification setting, and GMP-compliant synthesis and QC—none of which are indicated for this product.
• If formulation studies are desired for preclinical research, typical vehicles include DMSO/PEG400/saline or Captisol-based systems; selection must be justified by stability, tolerability, and intended route. Such activities fall outside the scope of this catalog listing.

Conclusion: No pharmaceutical-use claims are made or implied for this item.

Physical Properties

Item-specific physico-chemical data are not provided for this listing.

• 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 probable nonvolatile solid; specific value not provided.
• 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 (likely solid); not specified.

General guidance (literature/typical for small-molecule kinase inhibitors; not specific to this item):

• Many kinase-tool compounds are moderately lipophilic solids with limited aqueous solubility and are typically prepared as DMSO stock solutions (e.g., 10–50 mM) for screening. Aqueous working solutions are often made by diluting DMSO stocks into buffered media while keeping final DMSO ≤0.1–0.5% v/v to minimize assay artifacts.
• Actual solubility, polymorph, hygroscopicity, and stability can vary widely by scaffold. Always confirm using the batch CoA/Spec Sheet and perform a quick solubility/stability check in the intended matrix before use.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Intended use: Research use only (as stated). Not for diagnostic or therapeutic use.

Context and expectations (general):

• Tool compounds supplied for screening typically emphasize identity confirmation and assay-relevant purity. Common characterization packages include HPLC/UPLC purity and mass confirmation, sometimes 1H NMR; specific datasets for this item are not provided here and should be requested in the CoA/Spec Sheet.
• If offered as a library member, UV transparency and low nonvolatile residue are less critical than for chromatographic solvents; instead, batch-to-batch reproducibility and absence of reactive impurities are prioritized.
• Stabilizers/inhibitors: None are stated. If present in a particular batch, this must be disclosed on the CoA/Spec Sheet.

What the grade means in practice (general):

• Screening grade/tool-compound: Suitable for biochemical/cellular assays after user verification of purity/identity. For in vivo studies or regulated workflows, elevated documentation (e.g., GMP), impurity profiling, and residual solvent analysis would be necessary—such documentation is not provided here.

Reaction and Applications

This product is positioned as a research tool compound. No synthetic or manufacturing application is specified.

Research applications (general guidance, literature-based; not specific to this item):

• Biochemical assays: Evaluation of SphK1 activity using recombinant enzyme and fluorescent or radiometric substrates, generating IC50/Ki values from dose–response curves. Maintain constant final DMSO (e.g., 0.1–0.5% v/v) across wells to avoid solvent bias.
• Cellular studies: Interrogate SphK1-dependent signaling by treating cells with serial dilutions from a DMSO stock. Include vehicle controls and, where possible, orthogonal readouts (e.g., S1P quantitation, downstream phosphorylation markers) to confirm on-target effects.
• Mechanistic profiling: Time-course and washout experiments can help distinguish reversible inhibition from downstream adaptations. Consider measuring intracellular compound levels if permeability or efflux are concerns.
• Selectivity assessment: Use panels (kinase or lipid-kinase assays) to assess off-target activity. Cross-screening against SphK2 is particularly informative for SphK1 probes.

Note: The above are generic practices for SphK1 tool compounds and should be adapted based on the actual structure, potency, and solubility of this specific batch once disclosed on the CoA/Spec Sheet.

Reaction Conditions

Not applicable: This catalog entry is a finished small-molecule tool compound rather than a reagent used to promote or mediate synthetic reactions.

General laboratory usage conditions (not item-specific):

• Stock preparation: Often dissolved in anhydrous DMSO to 10–50 mM, filtered if necessary through 0.2 μm PTFE, and stored in aliquots to avoid freeze–thaw cycles.
• Biological assays: Typical incubation temperatures 20–37°C, exposure times from minutes to 48 h depending on endpoint. Maintain consistent vehicle concentration across samples.

No item-specific temperature ranges, catalysts, or yields exist for this product. Refer to the CoA/Spec Sheet and your assay SOPs.

Safety and Handling

Authoritative safety information must be taken from the SDS. The following item-specific hazard fields were not provided.

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

General laboratory guidance (non-item-specific):

• PPE: Use lab coat, suitable gloves (e.g., nitrile), and safety glasses. Handle powders in a fume hood to avoid inhalation of dust/aerosols.
• Storage incompatibilities: Keep away from strong oxidizers and strong acids/bases unless compatibility is known. Avoid moisture if the compound is hygroscopic (unknown for this item).
• First aid overview: If inhaled, move to fresh air; if on skin, wash with soap/water; if in eyes, rinse cautiously with water; if ingested, seek medical attention. Follow SDS instructions.
• Handling notes for bioactive small molecules: Avoid repeated freeze–thaw of DMSO stocks (can promote degradation/water uptake). Use amber vials if the compound is light sensitive (unknown for this item). Minimize exposure to elevated temperature.

Always consult the product SDS and institutional safety procedures before use. For research use only.

Solvent Selection

Item-specific solubility data are not available. The following are general, literature-based practices for small-molecule kinase inhibitors (not specific to this item):

• Primary stock solvent: DMSO is the default for many heteroaromatic, moderately lipophilic inhibitors. Typical stock concentrations: 10–50 mM. Confirm solubility visually and by analytical HPLC.
• Secondary options: DMF or NMP can improve solubility for recalcitrant scaffolds; ethanol or isopropanol may work for less polar compounds. Use co-solvent strategies (e.g., DMSO + aqueous buffer) with gentle warming if compatible.
• Aqueous systems: Direct dissolution in water or PBS is often limited. If aqueous delivery is required, consider vehicles like 0.5–1% DMSO in buffer, inclusion of 0.1% nonionic surfactant (e.g., Tween 80) if biologically acceptable, or cyclodextrin complexes. Validate that vehicles do not affect the readout.
• pH adjustment: If the compound has ionizable groups (unknown here), use pH to enhance solubility but avoid pH extremes that may compromise chemical stability.

Comparison (general, not specific to this item):

• DMSO: highest solvency, broad compatibility; potential biological effects ≥0.5% v/v.
• Ethanol: lower solvency, better biocompatibility at modest %; volatility can complicate dosing.
• Aqueous buffer only: best biological compatibility; feasible only for sufficiently polar/ionizable scaffolds.

Storage and Reconstitution

Item-specific instructions provided:

• Storage Conditions: Store at -20°C.
• Shipping: Shipped in an ice chest with ice pads.

Additional general guidance (not item-specific; follow your SOPs and the SDS):

• Solid storage: Keep tightly closed in original container, under dry, inert atmosphere if feasible. Protect from light until use if light sensitivity is suspected. Allow to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation.
• Stock solutions: If compatible, prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM). Dispense into single-use aliquots, store at -20°C or below in amber vials, and avoid repeated freeze–thaw cycles. Record preparation date and concentration.
• Thawing/handling: Warm briefly to room temperature before opening to prevent moisture ingress. After dilution into aqueous buffers or media, use promptly; many tool compounds have limited aqueous stability.
• Stability: No lot-specific stability data are provided. For critical work, confirm stability by HPLC over the intended storage period and usage conditions.

Always defer to the product’s CoA/Spec Sheet and SDS for definitive, lot-specific storage and handling instructions.

Structure and Identity

• Item name: SphK1-IN-1 (catalog tool compound targeting sphingosine kinase 1)
• 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.
• CAS: S1435593 (internal catalog identifier provided; not a validated CAS Registry Number)

Structural features (general context):

• SphK1-IN-1 denotes a small-molecule inhibitor classically used as a biochemical probe for sphingosine kinase 1 (SphK1). Without an explicit structure for this item, no definitive functional-group description can be provided.
• Literature context: SphK1 inhibitors frequently incorporate heteroaromatic scaffolds and hydrogen-bonding motifs to engage the ATP/sphingosine-binding regions of SphK1 (literature, general). This is background information and not specific to this item.

2D structure description: Not available for this item. If structure is needed for modeling or registration, request the CoA/Spec Sheet or structural disclosure from the supplier.

Synthetic Utility

This listing is for a bioactive tool compound rather than a synthetic building block. Without structural disclosure, no functional-group-based reactivity guidance can be provided.

General notes (not item-specific):

• Kinase inhibitors often contain multiple heteroatoms and aromatic systems that can be synthetically elaborated via common cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig) and heterocycle-forming reactions. However, applying such chemistry requires knowledge of the specific scaffold and protecting-group strategy.
• If derivatization is planned (e.g., for probes or conjugates), request the exact structure and consider sites amenable to linker installation without compromising target engagement (SAR-driven design).

Because the structure, protecting groups, and reactive handles are not provided, this section does not present stepwise synthetic guidance for this particular item.

Target Specificity

Item-specific target specificity, potency (IC50/Ki), selectivity over SphK2 or other kinases, and cellular activity data are not provided in the product data.

• Stated target class by name: The product name suggests a SphK1 inhibitor; however, without authoritative data, no claims on affinity, kinetics, or selectivity can be made for this exact item.
• Actionable guidance: Consult the CoA/Spec Sheet or the supplier for any available potency/selectivity panel results. Validate in-house using orthogonal assays if target specificity is critical to your study.

Domande frequenti

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 S1435593, the molecular formula is C22H22N6O2, and the molecular weight is 402.45 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.