Segigratinib , CAS No.1882873-93-9

CAS: 1882873-93-9 Cat. No.: S1450723 Summenformel: C₂₇H₂₈Cl₂N₆O₃ Molekulargewicht: 555.46

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Segigratinib is a fibroblast growth factor receptor tyrosine kinase inhibitor, with antineoplastic effect.

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Molekulargewicht: 555.46

Application Protocols

No manufacturer-tested application protocols are provided for this item.

General small-molecule handling protocols for in vitro research (non-item-specific):

• DMSO stock preparation
  • Warm to ambient in a desiccator. Add anhydrous DMSO to achieve 10–50 mM. Vortex and sonicate briefly if needed. Record exact concentration based on weighed mass and solvent volume.
  • Aliquot into low-bind tubes (e.g., 20–50 µL) and store at -20°C. Avoid more than 2–3 freeze–thaw cycles.
• Working solution preparation
  • Immediately before use, dilute stock into assay buffer to the desired final concentration, ensuring constant final DMSO (typically 0.1–1.0% v/v across all wells/samples).
  • Inspect for precipitation. If observed, adjust dilution order, add surfactant (0.01–0.05% Tween 20/80), or increase co-solvent within assay tolerance.
• QC and documentation
  • Confirm identity/purity periodically by LC-MS. For quantitative work, prepare a calibration curve in matched matrix and include internal standards if applicable.
• Storage of plated libraries
  • For long-term plates, use inert gas overlay and heat-sealed foils; monitor for edge evaporation and concentration drift.

These are general practices; adapt to your assay’s requirements and consult the CoA/SDS for any item-specific constraints.

Biological Roles

Item-specific biological target(s), pathway engagement, or mechanism for Segigratinib are not provided in this listing.

General considerations for small-molecule research compounds (non-item-specific):

• Use as tool compounds: Such molecules are often applied to interrogate biochemical pathways, enzyme function, or cellular phenotypes. Absent a declared target, apply unbiased profiling (e.g., CETSA/thermal shift, chemoproteomics, or broad kinase/GPCR panels as appropriate) before drawing mechanistic conclusions.
• Off-target assessment: Employ counter-screens against common nuisance mechanisms (redox cycling, PAINS motifs, covalent reactivity) using orthogonal assays and dilution paradigms.
• ADME-relevant properties: If structure becomes available, in silico predictions (cLogP, TPSA) can guide permeability and efflux risk; experimental microsomal stability and plasma protein binding further contextualize biological findings.
• Data integrity: Report exact batch/lot, stock concentration, final solvent %, and exposure time; confirm stability in assay media (evaluate by LC-MS pre- and post-incubation).

Important: No medical or clinical claims are made or implied. This product is supplied strictly for laboratory research use only, as stated in the Research Use Note.

Buffer Applications

Segigratinib is a discrete small molecule, not a buffering agent. No item-specific acid–base properties (pKa) are provided; therefore, buffer formulation guidance specific to this compound is not applicable.

General assay-buffer notes for small-molecule testing (non-item-specific):

• Maintain consistent final organic solvent content across test and control wells (e.g., 0.5–1.0% DMSO) to avoid solvent-driven artifacts.
• Choose buffers compatible with the biological system (e.g., HEPES or PBS for cell assays; Tris, HEPES, or MOPS for enzyme assays), and validate compound stability in the selected buffer by LC/UV over the assay time.
• If the compound is ionizable (unknown here), buffer pH can influence solubility and target binding; perform pH scouting where relevant.

For buffer recipes or pH ranges, refer to standard biochemical buffer references; no item-specific buffer capacity applies.

Green Alternatives

Because Segigratinib is supplied as a discrete small molecule (not a process solvent or bulk reagent), the “green alternatives” concept mainly pertains to greener practices in its handling, assay preparation, and purification rather than substituting the compound itself.

Greener handling strategies (general, non-item-specific):

• Solvent minimization: Use high-concentration DMSO stocks to reduce overall solvent volumes; scale assays to microplates (384–1536 well) where feasible.
• Preferred solvents: When feasible, favor ethanol or water–cosolvent systems over amide solvents (DMF/NMP) for environmental and safety profiles. Keep DMSO exposure minimal in cell assays (<1%).
• Analytical greener choices: Use shorter LC gradients with water–acetonitrile (or water–ethanol) systems; avoid chlorinated solvents in sample prep unless required.
• Waste reduction: Consolidate organic waste streams, and implement in-plate dilutions to reduce disposable plastics and solvent waste.

Illustrative solvent comparison (general; not item-specific):

• DMSO vs DMF/NMP: DMSO has a more favorable EHS profile than DMF/NMP for routine stocks.
• Ethanol vs acetonitrile: Ethanol is greener but less volatile and can challenge some MS methods; use as tolerated by the assay.

Note: No process synthesis or solvent-intensive unit operations are specified for this catalog item; adopt institutional green-chemistry guidelines during analytical and screening workflows.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is provided for this item. Segigratinib in this catalog is designated for research use only and is not intended for human or veterinary applications, clinical diagnostics, or as an active pharmaceutical ingredient.

General R&D context (non-item-specific):

• Discovery research: Small molecules like this may be used as reference standards, analytical controls, or tool compounds during early discovery and preclinical laboratory studies.
• Formulation screening (in vitro only): If solubility is limiting, typical research vehicles for in vitro work include DMSO stocks diluted into buffered saline with optional solubilizers (e.g., cyclodextrins) as permitted by the experimental design.
• Regulatory note: Absence of GMP documentation, pharmacopoeial monographs, and validated impurity profiles means this material should not be used in any product intended for administration.

Please consult the CoA for exact quality metrics and the SDS for safety. No therapeutic or clinical performance is claimed or implied.

Physical Properties

Item-specific physical constants are not provided in the current listing.

• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: 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(s): Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule tool compounds (literature/practice, not item-specific):

• Screening solubility: Many discovery compounds are formulated as 10–50 mM DMSO stocks; aqueous working dilutions are typically prepared immediately before use with surfactant (e.g., 0.01–0.05% Tween 80) or co-solvent (0.5–2% DMSO) if required.
• Polymorphism/hygroscopicity: Without a CoA, avoid assumptions. If handling solid material, assess by DSC/TGA/XRPD as needed.
• Ionization: If basic or acidic centers are present (unknown here), buffer pH can drastically affect apparent solubility and permeability; screen pH 2–9 where relevant.

Please consult the product CoA/SDS for definitive item-specific physical data before designing assays or formulations.

Quality and Grades

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

How to interpret grade information (general guidance for small-molecule research compounds):

• Research grade: Typically suitable for discovery biology and medicinal chemistry screening. Purity is commonly reported by HPLC/UPLC (area %) along with HRMS and, where applicable, NMR. Verify acceptance criteria on the CoA.
• Stabilizers/antioxidants: If present (none specified here), they should be disclosed on the CoA. Stabilizers can affect certain bioassays or analytical methods; validate any potential interference.
• Batch-specific documentation: Request the lot-specific CoA for exact purity, assay method, residual solvents, and water content. If your application requires stringent control (e.g., low non-volatile residue for LC-MS), specify these needs when ordering.

Quality control recommendations (general):

• Upon receipt, record the lot number, store as directed (-20°C), and, if critical, re-qualify by LC-MS and 1H NMR.
• For combinatorial/compound library items, maintain inventory tracking and stability logs, especially for DMSO stocks (monitor for precipitation or degradation by LC).

Note: Do not infer pharmacopoeial compliance or GMP suitability; this product is indicated for research use only.

Reaction and Applications

This product is listed in a small-molecule/compound library category and is not primarily offered as a synthetic reagent. No manufacturer reaction applications are provided.

General research applications (non-item-specific):

• Tool-compound workflows: Employed in target validation, binding studies, or phenotypic screening as neat solid or DMSO stock. Pair with orthogonal readouts (e.g., enzymatic activity and thermal shift/DSF) to mitigate assay artifacts.
• Reference standard: May serve as a reference for LC/UPLC-MS method development, retention-time locking, or mass spectral library building (if structure is available from CoA).
• SAR enablement: In medicinal chemistry, related analogs can be profiled to establish structure–property relationships; maintain consistent stock handling to ensure comparability.

Analytical considerations (general):

• Purity verification by LC with multiwavelength UV/Vis detection; add ESI± MS to detect non-UV impurities.
• Watch for colloidal aggregation in biochemical assays; include detergent controls and use dynamic light scattering where appropriate.

Note: No specific reaction classes (e.g., cross-coupling, condensations) are described for this item. If you intend to use it as a building block, obtain the full structural specification first and confirm functional group compatibility.

Reaction Conditions

No manufacturer reaction conditions or synthetic protocols are provided for Segigratinib, and the compound is not offered as a reagent.

General guidance for handling in research assays (non-item-specific):

• Stock preparation: Dissolve in an appropriate solvent (commonly anhydrous DMSO) to a defined concentration (e.g., 10 mM), filter through a 0.2 µm PTFE membrane if particulate is observed, and aliquot to minimize freeze–thaw.
• Stability checks: Assess solution stability at room temperature and 4°C over the intended assay duration by LC/UV or LC-MS. Light sensitivity should be evaluated if chromophores are suspected; protect from light as a precaution.
• Temperature: Biological assays typically run at ambient to 37°C; avoid prolonged elevated temperatures without a stability assessment.
• Materials compatibility: Use low-bind plastics or glass vials to reduce adsorption losses, particularly for hydrophobic compounds.

If you intend to employ Segigratinib in chemical reactions, obtain full structural information from the CoA and design conditions accordingly (solvent, base/acid, catalysts) while verifying compatibility with the compound’s functional groups.

Safety and Handling

Authoritative safety information must be taken from the product SDS.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.
• Hazard (H) statements: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for research-use small molecules (not item-specific):

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves. Handle powders/solutions in a fume hood to avoid inhalation or aerosol exposure.
• Avoid contact with skin/eyes and ingestion. Wash thoroughly after handling.
• Storage incompatibilities: Until specific functional groups are known, segregate from strong oxidizers and acids/bases. Keep container tightly closed, dry, and protected from light as prudent practice.
• First aid overview: If inhaled—move to fresh air; if on skin—wash with soap/water; if in eyes—rinse cautiously for several minutes; if ingested—rinse mouth and seek medical attention. Follow SDS guidance.
• Spill response: For small spills, absorb with inert material and place in suitable waste. Prevent dust formation; ventilate area.
• Waste disposal: Collect in properly labeled hazardous waste according to institutional and regulatory requirements.

Note: No evidence of peroxide formation or other special hazards is provided for this item; defer to SDS for any compound-specific risks.

Solvent Selection

Item-specific solubility data are not provided.

General solvent selection strategy for small-molecule screening compounds (non-item-specific):

• Primary stock solutions: DMSO is typically the first choice owing to broad solubilizing power and compatibility with biochemical and cell-based assays. Prepare 10–50 mM stocks when solubility allows.
• Alternative strong solvents: DMF, NMP, or ethanol can be used for primary dissolution, followed by dilution into assay buffer maintaining ≤1–2% final organic.
• Aqueous dilution: Add compound-in-solvent to well-stirred buffer slowly to avoid local supersaturation. Include carrier protein (e.g., 0.1% BSA) or surfactant (0.01–0.05% Tween 20/80) as permitted by the assay to reduce aggregation/adsorption.
• pH leverage: If the compound contains ionizable groups (unknown here), adjust buffer pH to favor ionization for higher apparent solubility; conversely, neutral form may be preferred for permeability studies.

Mini comparison (general):

• DMSO: maximal solvency; may affect enzymes/receptors above ~1–2% v/v.
• Ethanol: good solvency; higher volatility; cytotoxic above ~0.5–1% in many cell lines.
• DMF/NMP: strong solvency; use cautiously in biology due to potential toxicity.

Always confirm actual solubility and stability for this specific item using a small-scale pretest (visual inspection + LC/UV).

Storage and Reconstitution

Item-specific storage and shipping

• Storage conditions: Store at -20°C (provided).
• Shipped in: Ice chest + ice pads (provided).

Additional item-specific details

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution solvent and concentration: Not specified for this item; refer to CoA/Spec Sheet.

General best practices for small-molecule storage (non-item-specific):

• Keep tightly sealed in original container under dry, inert conditions if possible. Allow the container to equilibrate to room temperature before opening to avoid moisture condensation.
• If preparing solutions (e.g., DMSO stocks), aliquot into small volumes to minimize freeze–thaw; store at -20°C or per CoA guidance. Protect from light if chromophores are suspected.
• Track stability: Maintain logs for preparation date, storage temperature, and observed precipitates/discoloration. Verify integrity by LC/UV or LC-MS at defined intervals.
• Thawing/handling: Thaw aliquots quickly at room temperature, mix thoroughly, and use promptly. Avoid repeated warming of bulk containers.

Always defer to the lot-specific CoA and SDS for definitive guidance on storage stability, allowable temperature excursions, and reconstitution recommendations for Segigratinib.

Structure and Identity

Item-specific data available: SKU S1450723; Product name Segigratinib; Storage at -20°C; Shipped on ice.

• Item-specific identifiers

  • CAS: 1882873-93-9 (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.
  • PubChem CID: Not specified for this item; refer to CoA/Spec Sheet.

• Structural description

  • Structural features (ring systems, heteroatoms, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.
  • 2D depiction in words: Not specified for this item; refer to CoA/Spec Sheet.

• Notes

  • Segigratinib is listed as a small-molecule/compound library member in our catalog category. Detailed structure-identifying parameters (SMILES/InChIKey, formula, MW) should be confirmed from the product’s CoA or specification sheet for unambiguous identity verification.
  • For analytical confirmation in-house, professional users often verify small-molecule identity by high-resolution MS, 1H/13C NMR, and LC/UPLC retention time against the supplied CoA (general guidance).

Synthetic Utility

This listing does not provide structural or functional group information for Segigratinib; therefore, it is not positioned as a general synthetic reagent or building block in our catalog.

General notes (non-item-specific):

• If the compound’s structure (from CoA) contains reactive handles (e.g., aryl halide, boronate, amine, carboxylate), derivatization may be possible via standard cross-coupling or amide-coupling chemistry. However, such use should only proceed after confirming identity, purity, and the absence of protecting groups or sensitive motifs.
• Protecting-group sensitivity: Many discovery compounds incorporate base- or acid-labile linkages; avoid routine modifications without understanding stability.
• Analytical control: Should you attempt any derivatization for probe development, monitor by LC-MS and 1H/13C NMR; retain an untouched aliquot of the original lot for comparison.

Given the absence of item-specific functional group data, Segigratinib should primarily be treated as a finished small molecule for biological/analytical research rather than as a synthetic intermediate.

Target Specificity

• Declared target(s): Not specified for this item; refer to CoA/Spec Sheet.
• Mechanism or mode of action: Not specified for this item; refer to CoA/Spec Sheet.
• Species selectivity/cross-reactivity: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (non-item-specific):

• If utilizing as a putative tool compound, corroborate target engagement with orthogonal assays (e.g., biochemical IC50, cellular EC50, CETSA/thermal shift, and target occupancy by MS). Include appropriate negative and positive controls.
• Profile potential off-targets relevant to your biology area to de-risk phenotypic artifacts.

No claims are made here regarding biological selectivity or potency for Segigratinib.