Antitrypanosomal agent 10 , CAS No.A1421102

CAS: A1421102 Cat. No.: A1421102 Formula: C₁₇H₉F₆N₅O Peso molecolare: 413.28

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Antitrypanosomal agent 10 is an antitrypanosomal agent that inhibits Trypanosoma cruzi with an IC 50 of 0.28 μM.

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.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Peso molecolare: 413.28

Application Protocols

No item-specific, validated protocols are provided in the product data. The following is general guidance for in vitro antitrypanosomal testing; adapt to your organism, strain, and assay platform.

• Example in vitro growth inhibition assay (general):
  1. Prepare a 10–20 mM DMSO stock; sterile-filter if appropriate (0.22 µm PTFE/PES) and store aliquots at −20°C.
  2. Seed Trypanosoma spp. into suitable media (e.g., HMI-9 for T. brucei bloodstream forms) at the recommended density.
  3. Perform serial dilutions of the compound into assay plates to achieve a dose–response curve (maintain final DMSO ≤0.5–1% v/v).
  4. Incubate for 48–72 h (organism- and stage-dependent).
  5. Add viability reagent (e.g., resazurin/AlamarBlue or ATP-based luminescence) and measure signal after the recommended development time.
  6. Analyze data to estimate IC50/EC50 using appropriate curve fitting; include vehicle and positive-control comparators.
• Counterscreens (general):
  • Assess cytotoxicity on mammalian host cells under matched vehicle/assay conditions to evaluate selectivity.
• Notes:
  • Light sensitivity, adsorption, or instability may affect results; confirm by orthogonal analytics where possible.

All parameters above are general literature practices; for this specific item, consult the CoA/Spec Sheet or internal method sheets if available.

Biological Roles

• Item-specific biological targets/mechanism: Not specified for this item; refer to CoA/Spec Sheet.
• General background (for context in antitrypanosomal research):
  • Trypanosoma spp. (e.g., T. brucei, T. cruzi) exhibit unique biological pathways such as kinetoplast DNA replication, trypanothione-based redox metabolism, glycosome-localized glycolysis, and ergosterol-like sterol biosynthesis—each presenting tractable small-molecule targets.
  • Common target classes for antitrypanosomal agents include kinases (e.g., CRK3), proteases (e.g., cruzipain), sterol methyltransferases, oxidoreductases in the trypanothione system, and transporters essential for nutrient/drug uptake.
  • Phenotypic screening often precedes target deconvolution; hits can be profiled by chemoproteomics, resistance selection and whole-genome sequencing, or thermal proteome profiling.
  • Selectivity over mammalian host cells is assessed to build a therapeutic index in research; counterscreens on hepatocytes or fibroblasts help distinguish cytotoxicity from parasite-specific effects.
• Research-only note:
  • This product is intended strictly for laboratory research. No claims are made regarding therapeutic use, safety, or efficacy in humans or animals.

Conclusion: Use this compound as a probe candidate in trypanosome-related biological experiments while acknowledging that its specific target(s) and mechanism are not provided in the current listing.

Buffer Applications

This item is a bioactive small molecule rather than a buffering reagent; it is not used to set or maintain pH.

• Practical assay-buffer considerations (general guidance for antitrypanosomal testing):
  • T. brucei bloodstream-form assays commonly use HMI-9 or similar media buffered around pH ~7.2–7.4 (HEPES-based). T. cruzi intracellular assays are typically run in host-cell culture media (e.g., DMEM or RPMI) with HEPES or bicarbonate buffering.
  • When dosing DMSO stocks, maintain final DMSO at ≤0.5–1% v/v and ensure the buffer/media contains serum or appropriate protein to mitigate precipitation for hydrophobic compounds.
  • Include vehicle-only controls and verify that buffer components (serum proteins, reducing agents) do not chemically react with the compound (unknown here) by monitoring stability over the assay window.

If a dedicated buffering application is needed, select a proper buffer system (e.g., HEPES, MOPS, phosphate) based on the target pH and ionic strength. No item-specific buffer roles are provided.

Green Alternatives

For screening compounds, “green alternatives” primarily concern solvent/vehicle choices and assay formats, since the compound structure is fixed and undisclosed.

• Greener solvent strategies (general):
  • Minimize DMSO content in assays by preparing higher-concentration stocks and diluting to ≤0.5% v/v in the final well.
  • Consider aqueous co-solvent systems using ethanol (at ≤1% v/v), glycerol, or PEG-400; validate vehicle biocompatibility with parasite and host-cell models.
  • Employ hydroxypropyl-β-cyclodextrin (HP-β-CD) inclusion to solubilize lipophilic compounds in water, enabling near DMSO-free dosing.
• Operational improvements:
  • Use miniaturized assay formats (384/1536-well) to reduce solvent and compound consumption and waste generation.
  • Adopt sealed plates and low-evaporation lids to limit volatile solvent losses and exposure.
• Comparison snapshot (general considerations):
  • DMSO: Excellent solvent power; widely validated; potential cytotoxicity or assay interference at higher %.
  • Ethanol: Lower toxicity profile than many aprotic solvents; volatility can cause edge effects.
  • PEG-400: Non-volatile and biocompatible at low %; viscosity complicates liquid handling.
  • Aqueous HP-β-CD: Enables DMSO-free delivery for some chemotypes; may affect permeability/readouts; requires control wells.

Note: No item-specific solvent hazards or stabilizers are specified. Select greener options consistent with assay robustness and analyte stability, and confirm with controls.

Pharmaceutical Uses

• Regulatory status and compendial monographs: Not specified for this item; refer to CoA/Spec Sheet. This product is supplied strictly for research use and is not an API, excipient, or finished dosage form.
• Research and development context (general):
  • As a screening hit or probe candidate, an antitrypanosomal small molecule may be used in medicinal chemistry workflows: hit validation, SAR expansion, lead optimization, and preformulation feasibility studies.
  • Preformulation investigations (if structure is disclosed) could include solubility profiling (pH/biorelevant media), solid-state form screening (polymorph/salt/co-crystal), and stability-indicating analytical method development.
  • Developability flags typically assessed include chemical stability (oxidation, hydrolysis, photolysis), permeability, metabolic stability, and plasma protein binding; none are specified for this item.
• Formulation role:
  • No role as a pharmaceutical excipient is indicated or implied. Any formulation experiments should be confined to non-clinical, exploratory research settings.

No medical or clinical claims are made. For any translational work, obtain the full analytical and structural disclosure and perform independent safety and efficacy assessments under appropriate governance.

Physical Properties

Item-specific physicochemical properties are not disclosed in the product data. Do not assume values in the absence of a CoA.

• Physical state/appearance: 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.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility guidance (general, literature-based):
  • For unknown small molecules, begin with DMSO stock solutions (e.g., 10–50 mM), then dilute into assay buffer with ≤1% v/v DMSO to minimize vehicle effects.
  • If precipitation occurs upon dilution, introduce co-solvents (ethanol or PEG-400 at low %), adjust temperature, or pre-mix DMSO with buffer before addition of the compound.
• Spectral data: Not specified for this item; refer to CoA/Spec Sheet.

Note: When planning analytical methods (HPLC/UPLC), perform a quick solubility screen across MeCN, MeOH, IPA, and DMSO, and run scouting gradients to locate retention and UV response. All item-specific values must be confirmed from the CoA/Spec Sheet for the supplied lot.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Typical quality elements for small-molecule screening compounds (general guidance):
  • Purity by HPLC/UPLC (often ≥95% for screening libraries), reported with chromatographic conditions and detection wavelength(s).
  • Identity confirmation by 1H NMR, 13C NMR, HRMS/ESI-MS; optional IR. Where stereochemistry is relevant, chiral HPLC or optical rotation may be provided.
  • Water content (KF) and residual solvent profile (GC) may be included; these are batch-specific and should be verified in the CoA. For this item: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
• What this means for users:
  • For quantitative biology (IC50/EC50), use lots with confirmed purity and identity data to minimize confounders from impurities.
  • If conducting photo- or redox-sensitive assays, confirm absence of reactive stabilizers or peroxides (if any solvents are present). For this item, no such additives are specified.
  • If your workflow requires low UV background (analytical detection at low wavelengths) or trace-metal control (e.g., for metalloenzyme assays), request expanded specifications.

Conclusion: Treat this as a research-only screening compound; consult the lot-specific CoA/Spec Sheet for all numeric specifications and analytical confirmation.

Reaction and Applications

This product is positioned as a bioactive small molecule for antitrypanosomal research rather than as a synthetic reagent.

• Item-specific applications (from catalog context):
  • Labeled “Antitrypanosomal agent 10,” indicating intended use in phenotypic or target-based assays against Trypanosoma species in research settings. No potency, selectivity, or target is provided here; consult the CoA or associated data sheets where available.
• Typical research applications (general, for antitrypanosomal probes):
  • In vitro parasite growth inhibition assays (e.g., T. brucei bloodstream forms, T. cruzi epimastigotes/amastigotes) with viability readouts (resazurin/AlamarBlue, ATP-luminescence).
  • Mechanism-of-action hypothesis testing: chemical rescue, metabolomics shifts, target overexpression/knockdown sensitivity.
  • Early ADME profiling: microsomal stability, permeability, solubility, protein binding to support medicinal chemistry.
  • Combination studies with standard-of-care comparators (e.g., benznidazole, nifurtimox) to assess additivity/synergy in vitro.
• Not typical uses:
  • Not intended as a coupling reagent, catalyst, protecting group reagent, or stoichiometric reactant in organic synthesis.
• Practical tips:
  • Prepare fresh dilutions to minimize compound degradation/adsorption. Track freeze–thaw cycles of DMSO stocks and discard after excessive cycling.
  • Include vehicle controls and, where possible, cytotoxicity counterscreens on host cells to establish selectivity windows.

All numerical potencies, targets, and conditions for this specific item are not specified and should be obtained from the CoA/Spec Sheet if available.

Reaction Conditions

Not typically applicable. This item is a screening compound rather than a reagent used to drive chemical reactions.

• No item-specific reaction conditions (solvents, catalysts, temperature, stoichiometry) are provided or implied.
• If using the compound in biological assays, treat “conditions” as dosing and incubation parameters instead:
  • Prepare DMSO stock, dilute into culture medium or assay buffer to the desired working concentration range (e.g., serial dilutions for IC50 determination), and incubate per the biological protocol. Maintain vehicle controls and verify compound stability in the assay matrix.

For synthetic chemistry reaction conditions, consult reagents specifically designed for those transformations.

Safety and Handling

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• General laboratory safety (applicable to unknown bioactive small molecules):
  • Handle in a chemical fume hood and avoid inhalation, ingestion, and skin/eye contact. Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves; upgrade to double-gloving and splash protection for concentrated solutions or uncertain hazards.
  • Prevent aerosolization when opening lyophilized solids or powders. Wet down with solvent prior to weighing if static or dusting is observed.
• Storage and incompatibilities:
  • Storage condition (item-specific): Store at −20°C (per product data). Protect from moisture and, if noted by CoA/SDS, from light. Keep container tightly closed.
  • Avoid mixing with strong oxidizers or reducing agents until compatibility is known. For solutions in DMSO or alcohols, segregate from acids/bases accordingly and label with solvent identity and preparation date.
• First-aid overview (general):
  • Skin/eye contact: Rinse cautiously with water for several minutes and remove contaminated clothing; seek medical attention.
  • Inhalation: Move to fresh air and monitor breathing; obtain medical advice.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
• Waste disposal:
  • Collect in organic hazardous waste streams; do not release to drain. Deactivate/reactivity testing is not recommended without structural knowledge. Follow institutional and local regulations.

Always consult the SDS for authoritative safety data and hazard communication before first use.

Solvent Selection

Because no structure or solubility data are disclosed for this item, select solvents empirically and document vehicle effects in assays.

• Primary stock solvent (general best practice):
  • DMSO is the default for small-molecule screening due to high solvating power and water-miscibility. Prepare concentrated stocks (e.g., 10–50 mM) and store aliquots at −20°C.
• Secondary solvents/co-solvents (general):
  • Ethanol or methanol: Useful for moderately polar compounds; watch for biological assay interference at >1–2% v/v.
  • PEG-400: Enhances solubility for lipophilic entities; viscous—pre-dilute in DMSO or buffer.
  • Aqueous buffers with surfactants (e.g., 0.01–0.05% Tween 80 or Pluronic F-68) can reduce precipitation upon dilution.
• Miscibility (literature, solvent properties):
  • DMSO is miscible with water and most polar organics, facilitating serial dilutions for cell- and parasite-based assays.
• Practical selection tips:
  • Perform a mini solubility screen (DMSO, MeOH, EtOH, DMF, buffer + 1% DMSO) at the target working concentration.
  • Monitor for precipitation/cloudiness after dilution into assay medium; maintain final DMSO ≤0.5–1% v/v for sensitive biological systems.
  • Filter (0.22 µm PTFE or PES) if compatible; avoid adsorption losses with highly lipophilic compounds by minimizing surface area and using low-bind plastics.
• When to choose alternatives:
  • If DMSO-sensitive assays are used, consider EtOH or aqueous cyclodextrin complexes; validate that the vehicle alone does not affect parasite viability/readouts.

Storage and Reconstitution

• Storage conditions (item-specific): Store at −20°C (per product data). Keep container tightly closed. If structure or SDS indicates photosensitivity or hygroscopicity, protect from light and moisture; otherwise, handle as a standard small-molecule research compound.
• Shipping: Ice chest + ice pads (per product data).
• Reconstitution (general guidance for small molecules with unknown solubility):
  • Preferred solvent: DMSO for primary stocks. Begin at 10–50 mM based on intended assay range. If insoluble, warm gently (≤40°C) and vortex/sonicate briefly; avoid prolonged heating.
  • Alternate vehicles: EtOH, MeOH, or PEG-400 as co-solvents; consider HP-β-CD aqueous solutions for DMSO-sensitive systems. Verify compatibility with your assay.
  • Filtration: If sterility is required, filter through 0.22 µm PTFE or PES (confirm material compatibility to minimize adsorption losses).
• Aliquoting and stability:
  • Prepare single-use aliquots to avoid repeated freeze–thaw cycles. Label with concentration, solvent, and date.
  • Store solutions at −20°C; minimize freeze–thaw to preserve integrity. Monitor for precipitation or color changes.
• Working solutions:
  • Dilute into pre-warmed media/buffer to reduce precipitation; keep final DMSO ≤0.5–1% v/v for sensitive biological assays. Mix thoroughly and use promptly.

All item-specific specifications (purity, water content, stabilizers, exact solubility, and shelf-life) are not specified for this item; refer to the CoA/Spec Sheet and SDS for authoritative guidance.

Structure and Identity

• SKU: A1421102 (Antitrypanosomal agent 10)
• CAS: A1421102 (internal catalog identifier)
• Chemical identifiers:
  • 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 description:
  • Item-specific structural features are not disclosed in the product data. No ring systems, functional groups, stereochemistry, or scaffold class can be confirmed for this item from the provided information.
  • 2D structure depiction: Not available in the current listing.
• Identity notes:
  • This product is categorized as a small-molecule screening compound (“antitrypanosomal agent”). Without a disclosed structure, users should rely on the Certificate of Analysis (CoA), internal reference spectra (1H/13C NMR, HRMS), and HPLC/UPLC purity traces for identity confirmation where provided.
  • If using in SAR or profiling studies, request the structural disclosure and batch-specific analytical package prior to study initiation to ensure unambiguous annotation in databases (e.g., for ELN/LIMS registration).

Synthetic Utility

This product is intended as a bioactive screening compound, not as a general synthetic reagent or building block.

• Item-specific functional groups/reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• General considerations:
  • Without structural disclosure, predictions about reactivity, protecting-group strategies, or compatibility with standard transformations (e.g., cross-couplings, amide couplings) cannot be made.
  • If the structure becomes available and analogs are desired, typical medicinal chemistry tactics include scaffold hopping, vector-specific diversification, heteroatom substitution, conformational locking, and modulation of physicochemical properties (pKa, logD) to tune potency and ADME.
• When applicable (general medicinal chemistry workflow):
  • Rapid analog generation via parallel synthesis and micro-scale purification for SAR mapping.
  • Late-stage functionalization (C–H activation, photoredox) to sample polarity and lipophilicity space efficiently.
  • In silico property forecasting (cLogP, TPSA, solubility) to guide modifications; all computed values would be structure-dependent and are not provided for this item.

Conclusion: Do not plan to use this specific product as a reagent in chemical synthesis without structural information. Treat it as a reference compound for biological evaluation.

Target Specificity

• Specific molecular target(s), binding partners, or selectivity profile: Not specified for this item; refer to CoA/Spec Sheet.
• Context (general for antitrypanosomal research):
  • Antitrypanosomal agents may act on diverse pathways (e.g., trypanothione metabolism, sterol biosynthesis, proteases, kinases, RNA-editing complexes). Target deconvolution typically requires orthogonal assays such as resistant-line generation, CRISPR-based sensitization, CETSA/TPP, affinity capture, or metabolomics.

Until target disclosure is available, classify this item as a phenotypic inhibitor candidate and record all experimental metadata (strain, life stage, media, vehicle %, exposure time) to support later mechanism-of-action analysis.

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 A1421102, the molecular formula is C17H9F6N5O, and the molecular weight is 413.28 g/mol.