IACS-15414 , CAS No.2411321-29-2

CAS: 2411321-29-2 Cat. No.: I646899 Summenformel: C₂₀H₂₄Cl₂N₄O₂ Molekulargewicht: 423.34

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

IACS-15414 is a potent and orally bioavailable SHP2 inhibitor with an IC 50 value of 122 nM.

Form:Solid

Spezifikationen

Biochemische und physiologische Mechanismen

IACS-15414 is a potent and orally bioavailable SHP2 inhibitor with an IC 50 value of 122 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Namen und Kennungen

Molekulargewicht

423.34

Application Protocols

No vendor-validated application protocols are provided in the Product Data for IACS-15414. The following is a generic example for preparing assay-ready solutions of small molecules; adjust to your system and validate internally.

Example: Preparing a 10 mM DMSO stock and serial dilutions (general)

• Materials: Dry DMSO, calibrated pipettes, low-bind tubes/plates, vortex, optional sonicator.
• Stock preparation: Accurately weigh compound to prepare a 10 mM solution (e.g., 1.0 mg into 0.1 mL gives 10 mg/mL—convert to mM only with known MW; if MW unknown to you, prepare by mg/mL and back-calculate once provided). Vortex until fully dissolved.
• Aliquoting: Dispense single-use aliquots (10–50 µL) to minimize freeze–thaw.
• Serial dilution: Prepare intermediate dilutions in DMSO (e.g., 10-point 3-fold series). Immediately before assay, dilute into buffer or media to reach the desired final concentrations while keeping vehicle ≤0.1–1% v/v.
• Quality checks: Inspect for precipitation; if present, reduce top concentration or adjust vehicle composition. Confirm concentration by UV or LC–MS when critical.

Reporting

• Record batch/lot, preparation date, solvent, nominal concentration, and vehicle percentage in all datasets.

Note: This example is not item-specific and should not supersede internal SOPs.

Biological Roles

No biological function, pathway assignment, or endogenous role is provided for IACS-15414 in the Product Data. This product is offered strictly for research use.

• Established physiological role: Not specified for this item; refer to primary literature if available for this CAS.
• Molecular target or mechanism: Not specified for this item; refer to CoA/Spec Sheet or publications.

General guidance for researchers

• If used as a tool compound, corroborate phenotypes with multiple orthogonal probes, genetic perturbations, or inactive analogs to mitigate off-target or assay-artifact interpretations.
• Verify compound integrity (LC–MS) and potency after storage to ensure observed effects are attributable to the intended chemical entity.
• Track vehicle effects carefully (DMSO or ethanol controls at matching v/v), especially in sensitive cell systems.

Note: This product is supplied for laboratory research use only. It is not a nutrient, supplement, diagnostic, or therapeutic, and no clinical or in vivo claims are made here. Any biological attributes should be sourced from peer-reviewed literature and validated under your specific assay conditions.

Buffer Applications

IACS-15414 is not a buffering agent and is not intended to constitute the principal component of any buffer system.

Practical notes for preparing assay-ready solutions (general)

• Stock preparation: Dissolve in an appropriate organic vehicle (commonly DMSO) to a convenient concentration (e.g., 10–50 mM), verified by weight and volume. Sonication or gentle heating (≤37°C) may assist dissolution; confirm no degradation by LC–MS.
• Buffer dilution: Add the DMSO stock to pre-equilibrated buffer (e.g., PBS, HBSS, assay media) with vigorous mixing to a final vehicle fraction typically ≤0.1–1% v/v. Add the organic vehicle last to minimize localized precipitation.
• Precipitation control: If haze forms, reduce concentration, increase surfactant (if assay-compatible), or pre-mix with a small volume of ethanol/PEG-400 before aqueous dilution.
• Filtration: Use a 0.22 µm filter if precipitate/particulate persists; confirm compound recovery to avoid under-dosing.

Buffer systems (not specific to this item)

• Common biological buffers (PBS pH ~7.4, HEPES pH 6.8–8.2, Tris pH 7–9) are vehicles into which small-molecule stocks are diluted; optimization depends on the assay and compound compatibility.

Green Alternatives

Because IACS-15414 is a research compound, the primary “green” considerations relate to solvent selection, scale minimization, and waste handling in screening and analytical workflows. No item-specific alternatives are provided.

Greener handling strategies (general)

• Prefer high-boiling, lower-toxicity solvents for cleaning and sample prep when compatible (e.g., ethanol or isopropanol instead of chlorinated solvents). Validate recovery.
• For stock solutions, DMSO is industry-standard; consider minimizing DMSO volume by preparing higher-concentration stocks if solubility allows, thereby reducing vehicle in assays.
• Use miniaturized formats (384/1536-well) to reduce reagent consumption and waste.
• Avoid unnecessary replicate freeze–thaw cycles by aliquoting—this reduces waste generated by degraded stocks.

Illustrative comparison (general guidance)

• DMSO vs alternatives: DMSO offers unmatched solvency and is broadly accepted in bioassays; greener bio-based dipolar aprotics (e.g., Cyrene, GBL) are emerging but may be less biocompatible and can complicate assay baselines—validate carefully before substitution.
• Chromatography: Favor acetonitrile/water over halogenated eluents where possible; recover and recycle ACN using solvent recyclers at scale.

Waste considerations

• Segregate halogenated and non-halogenated organic waste. If identity is proprietary/unknown to the end-user, treat as hazardous organic waste by default.
• Implement just-in-time preparation of working solutions to minimize expired material.

Pharmaceutical Uses

No excipient role, pharmacopeial status, or manufacturing application is provided for this item. IACS-15414 is supplied strictly for laboratory research use and is not intended for human or veterinary use, clinical diagnosis, or as an active pharmaceutical ingredient.

General formulation context (for research only)

• Exploratory formulations in preclinical labs often rely on DMSO, ethanol, PEG-400, or aqueous surfactant systems (e.g., Tween 80) to solubilize hydrophobic small molecules for in vitro studies. Such systems require rigorous vehicle controls and are not suitable for clinical use without extensive safety/toxicity evaluation.
• Solid form characterization (polymorph, hydrate/solvate state) can influence dissolution and apparent potency; if conducting formulation research, request solid-state data where available.
• Stability-indicating methods (LC–UV/LC–MS) should be validated to monitor degradation during storage and in dosing vehicles.

Regulatory note

• No claims are made regarding compliance with USP/EP/JPE or ICH guidelines. For any application beyond basic research, obtain comprehensive quality documentation and conduct appropriate safety assessments.

Physical Properties

Item-specific physicochemical properties are not supplied in the Product Data for this entry.

• Appearance/physical state: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/spec): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (literature/spec): 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. For small molecules of unknown structure, DMSO is the default solvent for stock solutions; verify solubility empirically.
• LogP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific)

• Solubility screening: Test serially in dry DMSO (e.g., 1–50 mM), then dilute into assay buffer maintaining ≤0.1–1% DMSO v/v. Observe for precipitation after 30–60 minutes at room temperature.
• If solid: Assess hygroscopicity by mass gain on exposure to ambient humidity; store under desiccation when possible. If oil/semi-solid: Record viscosity/handling temperature to standardize aliquoting.
• If photolabile or air-sensitive behavior is suspected (color change, rapid degradation), work under low light, with inert gas headspace, and confirm stability by LC–MS/HPLC.
• Partitioning: In the absence of logP/logD, a simple shake-flask (PBS pH 7.4 vs octanol or cyclohexane) can provide a quick practical estimate for method development.

Quality and Grades

Item-specific grade and purity are not listed in the Product Data.

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

How to interpret quality for screening compounds (general guidance)

• Purity basis: For small-molecule research tools, purity is commonly reported by HPLC/UPLC (UV/ELSD) at a specific wavelength and solvent system. Verify the detection method and chromatographic conditions because UV-only purity may miss weakly absorbing impurities.
• Identity confirmation: LC–MS and 1H NMR are standard. For chiral compounds, optical rotation or chiral HPLC may be provided; if target biology is stereosensitive, request enantiomeric excess data.
• Residual solvents/metals: Unless specified in the CoA, assume “Not specified for this item; refer to CoA/Spec Sheet.” If metal-catalyzed steps are likely, consider independent ICP-MS screening when trace metals could affect assays.
• Water/peroxide/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If a stabilizer is present, assess assay compatibility and perform matched-vehicle controls.

Best practices

• Request batch CoA prior to critical experiments.
• On receipt, confirm purity/identity by in-house LC–MS for key campaigns (HTS, SAR). Archive spectra and chromatograms with batch numbers.
• For plate-based screening, pre-qualify DMSO stocks for stability and absence of particulates/precipitates after freeze–thaw.

Reaction and Applications

This product is supplied as a research small molecule rather than a synthetic reagent; no item-specific reactivity or use-cases are provided in the Product Data. Accordingly, it is generally applied as a test article in discovery biology or chemical biology workflows rather than as a stoichiometric reagent in organic synthesis.

Typical research applications (general, non-item-specific)

• Biochemical/cellular assays: Evaluate effects on target pathways using dose–response curves; maintain constant vehicle (e.g., 0.1–0.5% DMSO) across conditions.
• Target engagement studies: Apply thermal shift assays (CETSA, DSF) or ligand-observed NMR to probe binding where a protein target is hypothesized. Requires structural identity to interpret data (obtain from CoA).
• ADME profiling: Solubility, permeability (PAMPA/MDCK), microsomal stability, and plasma protein binding to characterize developability.
• Mechanism-of-action exploration: Use orthogonal assays and chemical controls; avoid overinterpretation without verified identity and purity.

Practical tips

• Solubility/stability scouting: Assess stock stability by LC–MS/HPLC after repeated freeze–thaw and after 24–72 h at bench-top conditions typical for your assays.
• Adsorption/carryover: For low-nM actives, evaluate adsorption to plastics (use low-bind consumables) and plate-memory in LC.
• Data integrity: Record batch number, stock concentration, vehicle percentage, and preparation date on all datasets to ensure traceability.

Reaction Conditions

No synthetic reaction conditions are applicable because this product is supplied as a finished research compound, not as a reagent. The Product Data do not include transformation conditions, catalysts, or named reactions.

General notes relevant to handling in laboratory workflows

• Stock solution preparation: Typical concentrations for screening stocks are 10–50 mM in dry DMSO; verify complete dissolution visually and by analytical means when precision is required.
• Stability checks: Incubate a diluted working solution under assay conditions and analyze after defined intervals (e.g., 1–24 h) to ensure chemical stability.
• Adsorption and carryover: Rinse protocols for autosamplers and LC columns may need strengthening if the compound exhibits strong hydrophobicity or stickiness; evaluate with blank injections.

If you plan chemical modification (only with structural information available)

• Reaction solvent, temperature, and time are dictated by the compound’s functional groups, which are not provided here. Proceed only after obtaining and reviewing the structure and any prior synthetic route information from the supplier or literature.

Safety and Handling

Hazard classification for this specific item is not provided in the Product Data. Handle as a laboratory chemical of unknown hazard profile.

• GHS classification, pictograms, signal word, H-statements: Not specified for this item; refer to SDS.
• Primary PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use a fume hood to avoid inhalation of dusts/vapors/aerosols.
• General precautions:
  • Avoid ingestion, inhalation, skin/eye contact. Prevent aerosol formation during weighing or pipetting.
  • Until stability and incompatibilities are known, segregate from strong oxidizers, strong acids/bases, and reactive reducing agents. Use inert, dry containers.
  • If preparing concentrated DMSO stocks, remember DMSO enhances dermal absorption—maintain strict glove discipline and promptly clean spills.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical advice if symptoms persist.
  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; obtain medical attention as needed.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical help.
• Spill/accident response: Absorb small liquid spills with inert material; for solids, avoid dust—dampen lightly if non-reactive. Dispose via approved hazardous waste streams.
• Fire safety: Use CO2, dry chemical, or foam extinguishers as appropriate. Combustion products are unknown—wear self-contained breathing apparatus in a fire scenario.
• SDS: Always consult the batch-specific SDS for authoritative hazard, exposure limits, and disposal guidance.

Solvent Selection

Item-specific solubility and polarity are not reported. The following guidance reflects common practice for small-molecule research compounds and should be verified empirically.

• Default stock solvent: DMSO is typically preferred due to broad solvating power and compatibility with biological assays at ≤0.1–1% v/v.
• Co-solvents for method development: DMF, ethanol, acetonitrile; for aqueous delivery, use DMSO or ethanol cosolvent with surfactant or carrier protein if compatible with the assay.
• Aqueous buffers: Direct dissolution is often limited; instead, dissolve in DMSO first, then dilute into buffer (e.g., PBS, HBSS, assay media) with vigorous mixing to avoid localized supersaturation.
• Filtration: If particulates are observed upon dilution, pass through low-protein-binding 0.22 µm filters; confirm compound recovery (adsorption losses) where potency is critical.

Comparison of common vehicles (general)

• DMSO: Fully miscible with water; strong solvency; may affect cells above ~0.5–1% v/v; enhances dermal absorption (handle carefully).
• Ethanol: Good solvency for many organics; cytotoxicity often observed above ~0.5–1% v/v in cell systems; volatile.
• Acetonitrile: Useful for LC/analytical work; harsher on cells; limited use as a delivery vehicle in biology.
• PEG-400: High boiling/low volatility; can solubilize hydrophobes; viscosity may complicate pipetting and can affect biology at higher percentages.

Tip: Establish a solvent compatibility matrix for your assay (vehicle-only controls across intended v/v ranges) before screening IACS-15414.

Storage and Reconstitution

Storage conditions for this item are provided; other specifics are not.

• Storage temperature (from Product Data): Store at -20°C.
• Shipping: Shipped in ice chest with ice pads (cold chain maintained).
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizer/antioxidant: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (not item-specific)

• Solvent: DMSO is the typical first-choice solvent for small molecules. If aqueous use is required, prepare a DMSO stock and dilute into buffer or media immediately before use.
• Concentration: Common screening stocks are 10–50 mM in DMSO; verify solubility visually and analytically. If molecular weight is unknown to you, prepare by mass/volume (mg/mL) and convert to molarity when MW is available.
• Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw. Store aliquots at -20°C in tightly sealed, chemically compatible vials (preferably with inert gas headspace and desiccant if moisture-sensitive).
• Light/air sensitivity: Not specified for this item; as a precaution, protect from light and minimize air exposure until stability is confirmed.
• Freeze–thaw: Minimize cycles; thaw on ice or at room temperature, mix gently to re-dissolve any microprecipitate, and promptly return unused aliquots to -20°C.

Stability/retention period

• Not specified for this item; refer to CoA/Spec Sheet. Verify stability periodically by HPLC/LC–MS, especially after long-term storage or temperature excursions.

Research use note: For research use only.

Structure and Identity

IACS-15414 is listed as a small-molecule research compound. Detailed structural identifiers are not provided in the Product Data for this catalog entry.

• Product name: IACS-15414 (SKU: I646899)
• CAS: 2411321-29-2
• Category: Small molecules and compound libraries (research use)
• 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

• 2D/3D structure, ring systems, functional groups, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet. Without a structure, functional-group analysis and cheminformatics descriptors cannot be provided.

Identification notes (general)

• For unambiguous identity in reports and ELNs, pair the CAS and product name with the batch-specific CoA (which should include structure, purity method, and spectral data where applicable). If structure is proprietary or undisclosed, rely on supplier batch analytics (e.g., HPLC/LC–MS) for confirmation.
• If you will derive mechanistic data or SAR, obtain and archive structure details under appropriate confidentiality where required.

Synthetic Utility

IACS-15414 is offered as a research tool compound rather than a synthetic building block or reagent. Because no structural information is provided in the Product Data, no item-specific reactivity, protecting-group considerations, or transformation pathways can be detailed.

Non-item-specific guidance

• If the structure becomes available and you intend to derivatize it for SAR, typical medicinal chemistry operations may include late-stage functionalization, amide coupling, heteroaryl cross-coupling, or oxidation/reduction steps tailored to its functional groups. Such plans require knowledge of substituent patterns and chemoselectivity risk.
• For analytical support during synthesis or modification, establish orthogonal purity metrics (HPLC-UV at multiple wavelengths, ELSD, and LC–MS). Where chirality is involved, deploy chiral SFC/HPLC early to avoid racemization issues.
• If isotopic labeling or bioconjugation is envisioned, identify handle(s) amenable to modification (e.g., anilines, phenols, halides) and assess metabolic liabilities (e.g., soft spots) using microsomal incubations before committing to series expansion.

Conclusion: Without a disclosed structure, IACS-15414 should be treated primarily as a test article for biological experiments rather than a reagent for synthetic transformations.

Target Specificity

No target, binding partner, or selectivity profile is provided for IACS-15414 in the Product Data.

• Antigen/epitope/clone/isotype (antibody fields): Not applicable.
• Molecular target, IC50/Ki, or off-target panel data: Not specified for this item; refer to CoA/Spec Sheet or primary literature if available.

Guidance for researchers (general)

• If a putative target is under evaluation, generate a basic selectivity map early (e.g., enzymatic counterscreens, safety panel profiling) to contextualize phenotypes.
• Combine biochemical potency with cellular target engagement (e.g., CETSA, NanoBRET) to confirm on-target activity in relevant models.
• Use appropriate inactive analogs or rescue experiments to support specificity claims.

Note: All characterization of target specificity should be documented alongside batch identity, purity, and solvent/vehicle information for reproducibility.