ABN401 - ≥96% , CAS No.2242563-15-9

CAS: 2242563-15-9 Cat. No.: A648892 Summenformel: C₂₉H₃₄N₁₂O Molekulargewicht: 566.66

QUALITÄT & REINHEIT ≥96%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Übersicht

ABN401 is a highly potent and selective ATP-competitive c-MET inhibitor with an IC 50 value of 10 nM. ABN401 has cytotoxic activity against MET-addicted cancer cells. ABN401 can inhibit c-MET phosphorylation in tumor tissues. ABN401 can be used for researching anticancer

Form:Solid

IC50& Target:IC 50 : 10 nM (c-MET)

Spezifikationen

Spezifikationen & Reinheit

≥96%

Biochemische und physiologische Mechanismen

ABN401 is a highly potent and selective ATP-competitive c-MET inhibitor with an IC 50 value of 10 nM. ABN401 has cytotoxic activity against MET-addicted cancer cells. ABN401 can inhibit c-MET phosphorylation in tumor tissues. ABN401 can be used for resear

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Aktionsart

INHIBITOR

Reinheit

≥96%

Namen und Kennungen

Molekulargewicht

566.66

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 10 mg/mL (17.65 mM; ultrasonic and warming and heat to 60°C)

Application Protocols

Item-specific

• No tested applications or recommended protocols are provided for ABN401 in the Product Data.

Guidance

• Refer to your internal assay SOPs and the scientific literature for protocol development appropriate to your research context. Ensure any protocols are validated with vehicle controls and confirm compound identity/purity prior to use.

Biological Roles

Item-specific

• No biological target, pathway, or mechanism information is provided for ABN401 in the Product Data.

General considerations

• As a member of a small-molecule/compound library, ABN401 may be evaluated for interactions with enzymes, receptors, ion channels, transporters, or nucleic acid structures, but any such roles must be established experimentally by the end user.
• Prior to biological testing, confirm identity and purity for data integrity. If the compound is fluorescent, chromophoric, redox-active, or surface-active, it may interfere with certain assay modalities; perform interference screening (e.g., reporter displacement, redox cycling, detergents) before assigning biological activity.
• ADME pre-screens (solubility, stability in assay buffer, microsomal stability, permeability) are recommended to contextualize any observed activities and rule out artifacts.

Compliance note

• Research use only. Not intended for human or veterinary use. No clinical or diagnostic claims are made or implied for ABN401.

Buffer Applications

Applicability

• ABN401 is a small-molecule library member and is not itself a buffering agent. Therefore, classic buffer formulation guidance (e.g., Henderson–Hasselbalch recipes, pH ranges) does not directly apply.

Practical notes for assay buffers (general)

• When preparing assay solutions of ABN401, select a buffer that maintains target stability and does not precipitate the compound upon dilution. Common choices: HEPES (pH 7.0–7.5), PBS (physiology-oriented), or Tris (pH 7.5–8.0), depending on biological system requirements.
• Keep final organic solvent content consistent across all wells/samples (commonly ≤0.5–1% v/v DMSO or ethanol) to avoid vehicle effects.
• Include low levels of nonionic surfactant (e.g., 0.01–0.05% Tween-20) only if necessary to mitigate nonspecific adsorption or aggregation and if compatible with the assay readout.

Item-specific data such as pKa, aqueous solubility limits, or salt form are not provided; refer to the CoA/Spec Sheet and perform empirical solubility checks in your chosen buffer.

Green Alternatives

Context

• Without structural and solubility data for ABN401, solvent and process “greenness” must be optimized empirically. The guidance below is general and does not constitute specifications for this item.

Greener dissolution and handling options (general)

• Prefer water or buffered aqueous media when intrinsic solubility allows; this maximizes safety and sustainability.
• DMSO is relatively benign (low volatility, low flammability) compared to DMF or chlorinated solvents, and is often the greenest practical choice for library stocks.
• Avoid chlorinated solvents (DCM, chloroform) for routine handling unless required for analysis; if used, implement recovery and proper waste segregation.

Small comparison (general)

• Water/buffer: zero VOC, best EHS profile; limited by compound solubility/ionization.
• DMSO: good solvency, low vapor pressure; potential biological effects above ~1% v/v.
• Ethanol/iPrOH: renewable sourcing possible; flammable; moderate solvency.
• Acetonitrile: efficient and volatile; petrochemical origin and toxicity considerations.

Operational practices

• Minimize stock concentrations to the lowest that support assay needs to reduce solvent burden.
• Use micro-aliquoting and sealed plates/vials to cut evaporative losses and emissions.
• Where feasible, select miniaturized assay formats (384/1536-well) to reduce total solvent volumes.

Note: No item-specific green metrics (E-factor, PMI, etc.) are available for ABN401.

Pharmaceutical Uses

Item-specific

• No pharmacopeial status, excipient role, or formulation use is specified for ABN401.

General statement

• As supplied, ABN401 is designated for research use only. It is not approved as an API, excipient, or for any manufacturing use under GMP without further qualification. Any consideration of formulation studies must be conducted strictly within non-clinical research frameworks and supported by full characterization (identity, purity, residual solvents, solid form).

Practical considerations (research context)

• If ABN401 is used in preformulation or developability assessments (research only), characterize solid-state form (XRPD/DSC), hygroscopicity, and pKa/logD to guide salt selection and vehicle screening. None of these parameters are provided here for this item.
• For in vitro dosing solutions, typical vehicles include aqueous buffers containing small percentages of DMSO or ethanol. Confirm compatibility with the biological system and avoid precipitation upon dilution.

Physical Properties

Item-specific

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

Notes for practitioners (general/literature guidance)

• In the absence of a disclosed structure, preformulation screening should begin with DMSO (analytical grade) to prepare a 10–50 mM master stock for assays; subsequently assess aqueous compatibility by serial dilution into assay buffer while monitoring for precipitation.
• If ABN401 is received as a solid and is UV-active, solubility can be quickly estimated by UV–vis or HPLC-UV during stepwise solvent titration. If hygroscopic, weigh rapidly in a dry box or over desiccant.
• Thermal behavior (DSC/TGA) can inform storage and handling; however, no item-specific thermal data are provided here—consult the CoA.

Quality and Grades

Item-specific

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

Interpretation and expectations (general guidance for small-molecule library items)

• Library compounds are typically supplied at research grade, often accompanied by LC/MS or HPLC purity data. Absent an explicit grade for ABN401, use the CoA for your specific lot as the controlling specification.
• If low-UV or low-fluorescence background is critical (e.g., bioassay readouts), review the chromatographic trace at relevant wavelengths (e.g., 210/254/280/320 nm). For MS-based assays, evaluate adduct/fragment profiles to ensure clean ionization.
• If a stabilizer or counterion is present, it should be disclosed on the CoA. None are specified here; therefore, assume no stabilizer unless indicated on your lot documentation. Verify salt form vs. free base/acid when calculating molar concentrations.
• Recommended QC on receipt (general):
  • Identity by HRMS (±5 ppm) or accurate-mass LC–MS.
  • Purity by HPLC/UPLC with orthogonal stationary phases if the analyte is chromophore-poor.
  • Water content by Karl Fischer if hygroscopic performance is a concern.
  • Residual solvent screening by GC if required for regulatory-driven studies.
• For structure–activity work, consider NMR confirmation (1H/13C, and 2D if stereochemistry is relevant) to ensure full concordance with the supplied structure file.

Reaction and Applications

Item-specific

• Manufacturer Applications: Not specified for this item.

General applications for small-molecule library members

• Hit identification and SAR: ABN401, as a coded library compound, is suited for screening in biochemical or cell-based assays to discover structure–activity relationships. Use in single-point and dose–response formats after confirming purity and solubility.
• Analytical reference: May serve as a research analytical standard (calibration/retention-time marker) once identity and purity are verified in-house.
• Panel profiling: Include in broad selectivity/ADME panels (e.g., microsomal stability, solubility, permeability) to characterize chemotype liabilities. Ensure you generate all data de novo; no such data are provided here.
• Orthogonal readouts: If the compound possesses intrinsic fluorescence/absorbance (unknown here), assess spectral overlap with assay reporters to avoid interference; adjust wavelengths or use label-free methods accordingly.

Practical tips (general)

• Prepare fresh dilutions daily; avoid multiple freeze–thaw cycles of DMSO stocks by aliquoting on receipt.
• Confirm absence of colloidal aggregation (e.g., by detergent challenge or dynamic light scattering) at active concentrations.
• Implement plate randomization and include vehicle controls matching final solvent content.

Note: No reaction chemistry (as a reagent or catalyst) is specified for ABN401; treat it primarily as a screening compound unless your program dictates otherwise.

Reaction Conditions

Item-specific

• No reaction usage or conditions are specified for ABN401 in the Product Data.

General guidance (only if ABN401 is to be chemically modified; not a specification)

• Solvent and temperature windows must be selected based on confirmed functional groups. Begin with mild conditions and monitor by LC–MS.
• For amide couplings: DMF/MeCN/DCM or green alternatives (2-MeTHF/EtOAc) with coupling agents (e.g., EDC/HOBt alternatives, HATU) and bases (DIPEA). Temperatures 0–25°C initially.
• For cross-couplings: Pd catalysts (Suzuki–Miyaura, Buchwald–Hartwig) in toluene/1,4-dioxane/2-MeTHF or aqueous micellar media; 25–100°C depending on substrate.
• For nucleophilic substitutions: Select polar aprotic solvents (MeCN, DMSO) and bases appropriate to leaving group stability.

Caveat

• These are literature-style examples and not recommendations for ABN401. Without structural data, expected yields and exact conditions cannot be provided. Validate experimentally.

Safety and Handling

Item-specific (from Product Data)

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.
• Storage: Store at 2–8°C, protected from light, desiccated. Shipped on wet ice.

General laboratory precautions (defer to SDS for authoritative guidance)

• Handle as a potentially hazardous small molecule. Use appropriate PPE: lab coat, safety glasses, and chemically resistant gloves. Work in a fume hood to avoid inhalation of dust or vapors.
• Avoid exposure to moisture and light to preserve integrity; keep container tightly closed when not in use. Allow cold shipments to equilibrate to room temperature in a desiccator before opening to prevent condensation.
• Incompatibilities are unknown from the Product Data. As a precaution, segregate from strong oxidizers/acids/bases until compatibility is known.
• First aid overview: In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting. Seek medical attention in all cases. Reference the SDS for compound-specific measures.
• Waste: Dispose of in accordance with institutional chemical waste procedures; do not release to drains. Label waste with the product code and CAS.

Solvent Selection

Item-specific

• No solvent preferences are specified for ABN401; refer to the CoA/Spec Sheet for any solubility notes.

General strategy for unknown or undisclosed structures

• Primary solvent: DMSO is the default for library compounds. Prepare 10–50 mM master stocks, then dilute into aqueous assay buffers (final DMSO typically ≤0.5–1% v/v to maintain cell/target compatibility).
• Secondary solvents: If DMSO is unsuitable, evaluate DMF, acetonitrile, ethanol, or isopropanol. For water-compatible compounds, use buffered aqueous media after confirming pKa and logD.
• Co-solvent approaches: Combine a water-miscible organic solvent (DMSO/MeCN/EtOH) with buffer to reach the target assay concentration without precipitation. Additive order matters—first dissolve in organic solvent, then add buffer with vigorous mixing.
• For hydrophobic analytes: Consider cyclodextrin inclusion, surfactants (e.g., 0.01–0.05% Tween-20), or protein carriers (e.g., 0.1% BSA) if compatible with the assay.
• Analytical check: Verify solubilization by visual inspection and by LC/UV or nephelometry immediately after dilution and after incubation at assay temperature.

Comparison (general)

• DMSO: highest solvency, benign byproduct profile, but can affect biology at >1%.
• Ethanol: volatile, broadly tolerated up to ~1–2% in some assays.
• Acetonitrile: good solvency and volatility; may denature proteins at modest levels.
• Aqueous buffers: preferred when intrinsic solubility permits; highest biocompatibility.

Storage and Reconstitution

Item-specific (from Product Data)

• Storage: Store at 2–8°C.
• Light sensitivity: Protect from light.
• Moisture sensitivity: Store desiccated.
• Shipping: Shipped on wet ice.

Reconstitution

• Solvent, concentration, and reconstitution procedure: Not specified for this item; refer to CoA/Spec Sheet.

General best practices (not item specifications)

• If supplied as a solid: Equilibrate the sealed vial to room temperature in a desiccator before opening. Weigh quickly to minimize moisture uptake. Dissolve initially in DMSO to prepare a 10–50 mM master stock, unless the CoA specifies otherwise.
• If supplied in solution: Verify concentration and solvent on the label/CoA. Mix gently after arrival and inspect for precipitation or phase separation.
• Aliquoting: Divide master stocks into single-use aliquots (amber vials/plates) to avoid repeated freeze–thaw and light exposure. Store tightly capped under inert atmosphere if the structure is air-sensitive (not specified here).
• Stability: In the absence of item-specific stability data, prepare fresh working solutions on the day of use and avoid prolonged exposure to elevated temperatures or UV.

Always consult the batch-specific CoA and SDS for definitive instructions.

Structure and Identity

Item-specific (from Product Data)

• SKU: A648892
• Product name: ABN401
• CAS: 2242563-15-9
• Category: Small molecules and compound libraries (研究/筛选用途)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• No structural identifiers are provided in the Product Data; therefore, ring systems, functional groups, stereochemistry, and a 2D structural description cannot be summarized. Please consult the Certificate of Analysis (CoA) or structure file supplied for your batch for definitive identity confirmation.

General guidance (chemistry knowledge)

• For library compounds designated by code names (e.g., ABN401), structural information is commonly distributed under CDA/NDA or provided post-purchase via CoA/SDF files. Verify identity by orthogonal methods (HRMS, 1H/13C NMR, LC/UV/MS) when required by your QC system.
• If you will register ABN401 in an ELN or inventory system, ensure the CAS and internal registry number are linked to the authoritative structure version to avoid duplicate entries.

Synthetic Utility

Item-specific

• No functional group description or reactivity profile is provided for ABN401; therefore, specific synthetic roles cannot be assigned from the Product Data.

General perspective

• Library compounds like ABN401 are typically end products for screening rather than synthetic auxiliaries or reagents. If the structure becomes available and contains recognizable handles (e.g., aryl halide, boronate, amine, carboxylate), it could be derivatized for SAR expansion via standard cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig), amide couplings, or heterocycle modifications. Such uses require confirmation of functional group presence from the CoA/SDF.
• For analog generation, consider late-stage diversification strategies (C–H activation, photoredox-mediated functionalization) contingent on the chemotype. Protective group strategies and stability to acids/bases/oxidants must be determined experimentally.

Note

• Do not infer reactivity or stability for ABN401 from unrelated analogs. Establish conditions with small-scale scouting reactions once the structure is known.

Target Specificity

Item-specific

• No target, binding data, selectivity profile, or biochemical class information is provided for ABN401.

Statement of applicability

• Target specificity is not established within the Product Data. Any specificity claims must be generated by the end user through appropriate screening and validation experiments (e.g., orthogonal assay formats, counterscreens).

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. 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 2242563-15-9, the molecular formula is C29H34N12O, and the molecular weight is 566.66 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.