Antitumor agent-19 , CAS No.2379727-90-7

CAS: 2379727-90-7 Cat. No.: A1453757 Fórmula: C₂₄H₂₁ClF₃N₅O Peso molecular: 487.90

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Antitumor agent-19 is an antitomor agent targeting tumor-associated macrophages (TAMs) to serve as an effective TAMs modulator. The EC 50 values of Antitumor agent-19 in the RAW 264.7 cells and the BMDM cells are 17.18 μM and 18.87 μM, respectively.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Peso molecular: 487.90

Application Protocols

Item-specific facts (from Product Data)

• No tested applications or validated protocols are provided for this item. The following is general guidance for small-molecule testing in vitro; adapt to your system.

Example protocol: Cell viability assay (general)

1. Prepare a 10–20 mM DMSO stock; aliquot and store at -20°C, protected from light.
2. Seed cells into 96-well plates (e.g., 5×10^3–1×10^4 cells/well) and allow to adhere overnight.
3. Prepare a 10-point 1:3 serial dilution in media, keeping final DMSO constant (≤0.1–0.5% v/v).
4. Treat cells for 48–72 h. Include vehicle and positive control wells (mechanism-appropriate standard).
5. Read out with a chosen viability assay (MTT/MTS/CellTiter-Glo) per manufacturer instructions.
6. Analyze concentration–response curves (four-parameter logistic fit) to derive EC50/IC50.

Example protocol: Biochemical enzyme inhibition (general)

1. Prepare compound dilutions in assay buffer containing matched DMSO (e.g., 1%).
2. Pre-incubate enzyme with compound (e.g., 10–30 min at room temperature) if appropriate.
3. Initiate reaction with substrate; monitor product formation kinetically.
4. Fit initial rates to determine IC50 or Ki (with appropriate models).

Good practices

• Verify solubility at top test concentration; exclude precipitated conditions.
• Run interference controls for fluorescent/colorimetric readouts.
• Record lot number, stock concentration, vehicle %, and plate map with each experiment.

Biological Roles

Item-specific facts (from Product Data)

• No target, pathway, or mechanism of action is specified for Antitumor agent-19 (CAS 2379727-90-7). Research use only.

General context for antitumor research agents (not item-specific)

• Functional classes: Small-molecule antitumor research tools often modulate kinases, epigenetic enzymes (HDAC, EZH2), DNA damage/repair pathways (PARP, ATR), cell cycle regulators (CDK), or cytoskeletal dynamics (tubulin). Some act via redox stress, proteostasis (HSP90, proteasome), or metabolism (IDH, DHODH).
• Cellular outcomes: Inhibition of proliferation, induction of apoptosis or senescence, autophagy modulation, or altered cell cycle checkpoints. Specific phenotypes depend on the molecular target and cell context.
• Selectivity considerations: Off-target activity and polypharmacology are common; annotated panels (e.g., kinome scans, broad receptor/enzyme profiling) are valuable for understanding on/off-target effects.
• Resistance mechanisms: Upregulated efflux transporters (e.g., ABCB1), target mutations, pathway rewiring, and microenvironmental factors can blunt activity; combination studies with pathway probes help dissect mechanisms.

Recommended research practices

• Establish a concentration–response curve across multiple cell lines with differing pathway dependencies; include non-transformed controls if appropriate.
• Combine phenotypic assays with orthogonal target engagement or pathway readouts (e.g., phospho-protein Westerns) once a hypothesis emerges.

Note

• No clinical or therapeutic claims are made; this product is intended solely as a laboratory research tool.

Buffer Applications

Applicability

• This product is a small-molecule research agent, not a buffering reagent. It is not typically used to set or maintain pH.

Practical considerations for assays (general, not item-specific)

• Vehicle control in buffers: When dosing into buffered systems (PBS, HEPES, culture media), maintain constant final vehicle content (e.g., 0.1% DMSO) across all wells/tubes, including controls.
• Precipitation checks: After adding the compound stock to buffer/media, visually inspect for turbidity and, if possible, confirm by light scattering or a quick analytical LC to ensure the test article remains in solution at working concentrations.
• Adsorption: Hydrophobic compounds may adsorb to plastics. Use low-binding polypropylene or glass vials for stock prep and, if necessary, pre-condition surfaces with vehicle.

Common assay buffers (general reference)

• PBS (pH ~7.4) and HEPES-buffered saline (pH 7.2–7.6) are typical for biochemical and cell-based assays due to physiological pH and ionic strength. Supplementation (e.g., Mg2+, DTT) should be validated for compatibility with the compound and the readout.

Summary

• No buffer recipes are provided for this item. Select buffer systems based on the biological assay requirements, keeping vehicle percentage constant and as low as possible.

Green Alternatives

Context

• Without item-specific structure/solubility data, solvent choice for this bioactive is driven by assay compatibility and green chemistry preferences.

General greener dissolution strategies (not item-specific)

• Prefer water-rich systems with minimal organic cosolvent when feasible. Use the lowest effective DMSO or ethanol content compatible with assay performance.
• Consider biodegradable or lower-toxicity excipients (e.g., hydroxypropyl-β-cyclodextrin, polysorbates at low levels) to enhance apparent solubility instead of high-boiling dipolar aprotic solvents.

Illustrative comparison (general)

• DMSO: Excellent solvency; widely accepted up to ~0.1–0.5% v/v in cell assays. Not green but used at very low quantities; minimize waste.
• Ethanol: Bio-derived option; limited solubility scope; typically acceptable ≤0.5% v/v for many cells.
• 2-MeTHF/CPME: Greener ethers for synthetic chemistry; rarely appropriate for bioassays and generally avoided in cell culture.
• PEG400 or glycerol: Lower hazard profiles; can aid solubilization but may affect viscosity/osmolality and assay readouts.
• HP-β-CD: Improves aqueous delivery for hydrophobic molecules; check for inclusion effects on activity.

Practical tips

• Implement microscale solvent screens to identify the lowest-impact vehicle meeting performance needs.
• Segregate and label DMSO waste; maintain closed containers to minimize emissions.
• If scaling for larger in vitro campaigns, prepare concentrated master stocks to reduce total solvent usage across experiments.

Pharmaceutical Uses

Scope and limitations

• No pharmacopeial status, excipient role, or formulation specifications are provided for this item. Antitumor agent-19 is supplied strictly for research use only and is not intended for human or veterinary administration.

Research/formulation context (general, not item-specific)

• Preformulation screening: Solubility profiling across pH 2–8 buffers, cosolvent systems (DMSO, ethanol), and enabling excipients (HP-β-CD, PEG400) to support in vitro dosing.
• Stability assessments: Chemical and physical stability in candidate vehicles (light, temperature, oxidative stress) and in biologically relevant matrices (culture media, serum) to inform assay design.
• Reference material use: May serve as an internal standard or positive/negative control in discovery assays once characterized, with proper documentation of identity, purity, and potency.

Quality and documentation

• Track lot numbers, CoA, and any in-house analytical data. If used for cross-lab studies, qualify a retained sample and establish handling SOPs to minimize variability.

Compliance note

• This product is not covered by USP/EP/JP monographs and is not certified for GMP use. Do not incorporate into products intended for administration. All work should remain within nonclinical research settings.

Physical Properties

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Physical constants (mp/bp, density, refractive index, UV cutoff): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Literature/computed (general guidance, not item-specific)

• For small-molecule screening agents of unknown structure, initial dissolution is commonly performed in anhydrous DMSO at 10–50 mM to generate a master stock. Secondary vehicles (ethanol, DMF, PEG400, or aqueous media containing 0.5–2% v/v DMSO) can be evaluated empirically.
• If ionizable groups exist (unknown here), pKa values strongly influence aqueous solubility; weak bases often show improved solubility in acidic buffers, and weak acids in basic buffers. Predictive tools (e.g., Marvin, ACD/Labs) are useful once a structure is available.
• Hygroscopicity and polymorphism may affect handling and apparent solubility for certain bioactive solids; conduct a small-scale solubility and stability screen upon receipt.

Notes for users

• Until item-specific constants are available, avoid assuming volatility or hygroscopicity. We recommend a small solubility panel (DMSO, ethanol, DMF, PBS + 1% DMSO) and a quick stability check (ambient vs. 4°C vs. 37°C in assay-relevant media) before committing to large experiments.

Quality and Grades

Item-specific facts (from Product Data)

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

Interpreting quality when grade is unspecified

• For bioactive small molecules labeled for research use, vendors often provide purity as HPLC area % (e.g., ≥95%) and identity by NMR/HRMS. Because the specific grade is not listed here, please consult the lot-specific CoA for:
  • Identity confirmation method (1H NMR, 13C NMR, MS, HRMS, elemental analysis)
  • Purity basis (HPLC/UPLC conditions, detection wavelength)
  • Residual solvents and water content (KF), if measured
  • Enantiomeric/diastereomeric ratio for chiral compounds, if applicable

Practical guidance

• If the compound will be used in quantitative biology (e.g., IC50 determinations), verify purity and stability in your lab by orthogonal methods where possible (e.g., LC–MS purity check under your assay’s diluent conditions).
• Stabilizers: None specified for this item. If later provided, note that stabilizers (e.g., BHT) can interfere with certain assays, particularly redox or fluorescence-based readouts.
• Documentation: Archive the CoA and any spectral data with the lot/receipt date. Record storage and any reprocessing (e.g., recrystallization) performed in-house.

Reaction and Applications

Applicability to this product

• Antitumor agent-19 is positioned as a bioactive research chemical rather than a synthetic reagent. No manufacturer reaction applications are provided.

Research applications (general, not item-specific)

• In vitro biology: Commonly used as a test article in cell-based proliferation/viability assays (e.g., MTT/MTS/CellTiter-Glo), apoptosis markers (Annexin V/PI), cell cycle analysis (flow cytometry), and target engagement assays (CETSA, NanoBRET) when the molecular target is known.
• Biochemical assays: Enzyme inhibition kinetics, binding affinity (SPR, ITC, MST) if the target protein is identified.
• ADME profiling: Solubility, stability in microsomes/hepatocytes, permeability (PAMPA/Caco-2), and plasma protein binding to assess developability of the scaffold.

Practical execution tips

• Stock preparation: Prepare a 10–50 mM DMSO stock; verify clarity after dilution into assay media at working concentrations.
• Controls: Include vehicle controls matched for final DMSO percentage, positive control inhibitors where mechanistically appropriate, and orthogonal readouts to mitigate assay artifacts.
• Interference awareness: Colored or intrinsically fluorescent compounds can produce assay interference; run counter-screens (e.g., redox cycling, detergent sensitivity, autofluorescence scans) as needed.

Note

• Because no target/mechanism is specified for CAS 2379727-90-7 in this listing, users should treat all application details as general guidance and tailor conditions to their experimental system.

Reaction Conditions

Applicability

• This product is not supplied as a reagent for chemical synthesis, and no reaction conditions are provided in the Product Data.

General guidance for handling in solution (not item-specific)

• Stock solutions: Prepare 10–50 mM in anhydrous DMSO; mix thoroughly (vortex/sonication) and inspect for complete dissolution. Filter only if known to be stable and non-adsorptive to membranes.
• Working concentrations: Typical in vitro ranges span 0.001–50 µM, depending on potency and assay sensitivity. Establish a broad concentration–response (e.g., 10-point 1:3 serial dilution) to capture full dynamic range.
• Temperature and light: Unless otherwise known, protect from light and avoid prolonged exposure to elevated temperatures. Perform dilutions at room temperature and return aliquots promptly to -20°C storage.
• Stability checks: Assess short-term stability in assay media (e.g., 4–24 h at 37°C) by LC–MS or HPLC to ensure consistent exposure during the assay window.

Notes

• If subsequent information indicates sensitivity to oxidation or hydrolysis, consider degassed buffers, inert atmosphere handling, or inclusion of stabilizers compatible with the assay.
• For any chemical reactions involving this compound (e.g., bioconjugation), obtain detailed structural data first to determine reactive sites and appropriate conditions.

Safety and Handling

Item-specific facts (from Product Data)

• GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.
• Storage: Store at -20°C. Shipped cold (ice chest + ice pads).

Authoritative source

• Always consult the official Safety Data Sheet (SDS) for your received lot for definitive hazard, first-aid, firefighting, spill response, and disposal instructions.

General laboratory safety (non-item-specific)

• PPE: Wear lab coat, appropriate gloves (e.g., nitrile), and safety glasses. Handle powders in a fume hood to minimize inhalation exposure.
• Handling: Avoid dust/aerosol generation. When preparing stock solutions, use sealed vials and wipe threads to prevent residue buildup. For unknown toxicological profiles, treat as harmful if swallowed, inhaled, or in contact with skin; avoid exposure.
• Incompatibilities: Until specific chemistry is known, segregate from strong oxidizers and strong acids/bases. Use amber containers if photosensitivity is suspected.
• Perishability: Maintain the cold chain; minimize freeze–thaw cycles by aliquoting upon first opening. Allow vials to equilibrate to room temperature in a desiccator before opening to prevent condensation.
• First aid (general): In case of skin contact, wash with soap and water; eye contact, rinse cautiously with water for several minutes; inhalation, move to fresh air; ingestion, seek medical attention. Provide SDS to responders.
• Waste: Dispose of in accordance with institutional chemical waste procedures; do not release to drains.

Note: This product is for research use only; not for human or veterinary use.

Solvent Selection

Item-specific facts (from Product Data)

• No solvent recommendations are specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule bioactives (not item-specific)

• Primary solvent: Anhydrous DMSO is the default for generating concentrated master stocks (10–50 mM), owing to its broad solvating power and compatibility with many biological assays at ≤0.5% v/v.
• Secondary vehicles: Ethanol, methanol, DMF, and PEG400/propylene glycol blends can be considered when DMSO is unsuitable. For in vitro work, final organic cosolvent content is typically kept ≤0.1–1% v/v to protect cell viability.
• Aqueous compatibility: Evaluate staged dilution into assay buffer or media (e.g., PBS or culture medium) with vigorous mixing to minimize precipitation. Consider using a small amount of nonionic surfactant (e.g., 0.01–0.05% Tween 80 or Pluronic F-68) if allowed by the assay.

When to choose alternatives

• If the compound is extremely lipophilic (cLogP > 4; requires structure to confirm), PEG400 or cyclodextrin carriers (e.g., 2–10% w/v HP-β-CD) may improve apparent solubility.
• If UV/fluorescence readouts are used, test solvent background and potential inner-filter effects at the intended concentrations.

Practical tips

• Pre-warm viscous vehicles (PEG400) to 37°C to facilitate dissolution.
• Filter sterilize stocks only if the compound is known to be stable to the membrane material and does not adsorb significantly; otherwise, prepare aseptically and avoid filtration losses.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage conditions: Store at -20°C.
• Shipping: Ice chest with ice pads (maintain cold chain).
• Appearance, stabilizer, and reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (not item-specific)

• Upon receipt: Allow the sealed container to equilibrate to room temperature in a desiccator before opening to avoid condensation. Work quickly to minimize ambient exposure.
• Aliquoting: Prepare small aliquots of concentrated stock (e.g., 10–50 mM in anhydrous DMSO) to avoid repeated freeze–thaw cycles. Use amber vials or wrap in foil if light sensitivity is suspected.
• Aqueous working solutions: Dilute into pre-warmed assay buffer or culture media with vigorous mixing to reduce precipitation. Keep final DMSO/vehicle content constant across conditions.
• Stability: Without item-specific data, assume limited stability in aqueous media; prepare fresh working solutions immediately before use and discard after the experiment.

Record-keeping and QC

• Label aliquots with compound name, lot, concentration, solvent, and date. Periodically confirm concentration and purity of long-lived stocks by HPLC/LC–MS if used repeatedly over weeks.

Safety note

• For research use only. Consult the SDS for definitive handling, storage compatibility, and spill response information specific to your received lot.

Structure and Identity

Item-specific facts (from Product Data)

• SKU: A1453757
• Product name: Antitumor agent-19
• CAS: 2379727-90-7
• Storage: Store at -20°C; shipped in ice chest with ice pads
• Research use: For research use only
• 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 chemistry notes

• Structural features: Not disclosed in the current listing. Without a structure, functional groups, ring systems, and stereochemical descriptors cannot be summarized for this catalog entry.
• 2D structure description: Not available. If a structure is later provided, a typical 2D depiction would identify heterocycles, aromatic regions, hydrogen-bond donors/acceptors, ionizable centers, and any chiral elements relevant to bioactivity.

Practical guidance

• If you obtain a CoA/SDS or a structure file (SMILES/SDF), record-keeping best practice is to archive those with your batch number and to generate calculated properties (cLogP, pKa predictions) to guide solubility and assay design.

Synthetic Utility

Applicability

• No structure or functional group information is provided for Antitumor agent-19; therefore, specific synthetic transformations or reactivity cannot be described for this catalog entry.

General perspective (not item-specific)

• If the structure becomes available, typical synthetic utility discussion would cover:
  • Key functional handles for diversification (e.g., aryl halides for cross-coupling, amines/acids for amide formation, heteroaryl cores for SNAr).
  • Strategic late-stage modifications for SAR (bioisosteres, heteroatom substitutions, solubilizing side chains).
  • Protecting group considerations and scalability constraints for medicinal chemistry campaigns.

Practical notes for users working with analogs

• When synthesizing analog series around a bioactive scaffold, prioritize convergent routes that allow parallel variation at 1–2 diversity sites.
• Build in purification-friendly steps (e.g., crystallization windows, orthogonal polarity changes) and routinely assess purity under assay-relevant conditions (aqueous-organic gradients) to detect latent instability.

Summary

• In the absence of structure, treat this item as a finished research article rather than a starting material. For synthetic work, obtain or elucidate the structure and plan routes accordingly.

Target Specificity

Item-specific facts (from Product Data)

• No molecular target(s), pathway annotation, or binding data are provided for Antitumor agent-19 (CAS 2379727-90-7).

General guidance (not item-specific)

• To characterize target specificity:
  • Use broad profiling panels (e.g., kinome scan, GPCR/enzyme panels) aligned with hypothesized mechanism classes.
  • Apply thermal shift or CETSA assays in cells to confirm engagement of candidate targets.
  • Employ genetic orthogonalization (siRNA/CRISPR knockdown or overexpression) to test dependency of phenotype on the putative target.
  • Evaluate off-target liabilities via counter-screens (e.g., hERG, CYP inhibition, redox activity, PAINS filters) and chemoproteomics if applicable.

Note

• All target-related determinations must be generated empirically by the user or sourced from peer-reviewed literature for the exact CAS/structure; none are supplied here.