Anti-inflammatory agent 43 , CAS No.2364631-99-0

CAS: 2364631-99-0 Cat. No.: A1440140 Formula: C₃₄H₄₂O₂₂ Peso molecolare: 802.68

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Anti-inflammatory agent 43 (compound 3) is a 6-methoxyflavonol glycoside, with anti-inflammatory activity. Anti-inflammatory agent 44 can be isolated from the aerial parts of Tetragonia tetragonoides.

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.

Nomi e identificatori

Peso molecolare

802.68

Application Protocols

No manufacturer-validated protocols are supplied for this product. The following are example, literature-style workflows for anti-inflammatory studies; they are not validated for this item and should be optimized by the user.

• Example 1: LPS-stimulated macrophage assay (cytokine readout)

  • Cells: RAW 264.7 (or THP‑1-derived macrophages).
  • Dosing: prepare 10 mM DMSO stock; dose 0.03–30 μM with constant 0.1% DMSO.
  • Stimulus: LPS 100 ng/mL for 6–24 h.
  • Readouts: TNF-α/IL‑6 ELISA; cell viability assay in parallel.
  • Controls: vehicle, dexamethasone (positive control), and known COX inhibitor (e.g., indomethacin) for benchmarking.

• Example 2: COX-2 enzymatic inhibition assay

  • Enzyme source: recombinant human COX-2.
  • Conditions: 100 mM Tris pH 8.0, 1–5% glycerol, 25–37°C, 15–30 min pre-incubation with inhibitor; arachidonic acid substrate.
  • Detection: PGE2 quantification (ELISA or LC–MS) or colorimetric coupled assay. Determine IC50 via 10-point curve.

• Data quality notes

  • Confirm compound solubility at top test concentrations; exclude wells with visible precipitate or high light scatter.
  • Record lot number, stock concentration verification, and vehicle percentage.

All procedures are for research use only.

Biological Roles

No target or pathway information is provided for this specific item. The following is general background on anti-inflammatory mechanisms for context only.

• Inflammation pathway overview (general)

  • Innate immune activation via TLRs leads to NF-κB and MAPK signaling, elevating cytokines (TNF-α, IL-1β, IL-6) and eicosanoids (PGE2) through COX/mPGES pathways.
  • Resolution processes involve lipid mediators (resolvins, lipoxins), macrophage polarization, and clearance of damage signals.

• Small-molecule intervention points (literature)

  • Enzymes: COX-1/2, 5-LOX, mPGES-1, iNOS, and kinases (p38, JNK, IKKβ) are frequent targets.
  • Transcriptional regulators: NF-κB p65/p50 nuclear translocation and DNA binding; STATs downstream of cytokine receptors.
  • Inflammasome components: NLRP3 activation/caspase-1 cleavage affecting IL‑1β maturation.

• Research implications

  • Tool compounds help dissect temporal control of signaling and crosstalk between pathways.
  • Off-target profiling (kinome, CEREP, or Safety21 panels) is recommended to build a specificity map before deep mechanistic claims.

Note: This product is for research use only; no statements are made regarding therapeutic activity, safety, or efficacy in humans or animals.

Buffer Applications

This product is a small-molecule tool, not a buffering agent. No dedicated buffer systems are associated with it.

• Practical notes for assay buffers (general)

  • Prepare concentrated DMSO stock and dilute into assay buffer (e.g., PBS, HEPES, or CO2-independent media) keeping final DMSO typically ≤0.1–0.5% v/v.
  • If precipitation occurs, consider gentle warming of the stock, slower titration into buffer with vortexing, or inclusion of ≤0.01–0.05% non-ionic surfactant when compatible.
  • Maintain consistent vehicle across controls and treated samples; solvent-only controls are essential.

• pH considerations (general)

  • If the compound is ionizable (unknown here), apparent potency may shift with pH due to solubility and target ionization; run pH controls (e.g., 6.8–7.6) where relevant.

Green Alternatives

While anti-inflammatory small molecules are typically handled as DMSO stocks, greener practices can reduce environmental impact and improve lab safety.

• Solvent and formulation choices (general guidance)

  • Prefer water-rich vehicles with minimal DMSO (≤0.1–0.2% v/v final) when solubility allows.
  • Evaluate bio-based co-solvents (e.g., 2-methyltetrahydrofuran, propylene glycol) for preformulation studies where chemically compatible.
  • Use high-solubility buffers or cyclodextrin complexes to lower organic solvent load.

• Operational greening

  • Miniaturize assays (384/1536-well formats) to cut solvent usage and waste 10–100×.
  • Implement sealed-plate handling to minimize VOC emissions and evaporation-driven concentration drift.
  • Consolidate solvent waste streams and use solvent recovery programs where available.

• Tradeoffs (balanced view)

  • Greener co-solvents may alter permeability, protein binding, or enzyme kinetics; revalidate assay performance after vehicle changes.
  • Cyclodextrin or polymeric carriers can confound readouts in some binding assays; incorporate appropriate vehicle controls.

• Example comparison (general, not item-specific)

  • DMSO vs aqueous + HP-β-CD: DMSO offers broad solubility but higher eco-tox footprint; cyclodextrin systems may reduce DMSO but can introduce binding artifacts—evaluate case by case.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or clinical use information is provided for this item. It is supplied strictly for research use only.

• Research and pre-formulation context (general)

  • Tool compounds are commonly used in early discovery to benchmark targets and pathways implicated in inflammation.
  • When exploring delivery in non-clinical research, evaluate solubilization strategies (cosolvents, cyclodextrins, lipid-based vehicles) and characterize stability, but do not extrapolate to clinical suitability.

• Compliance note

  • Not intended for human or veterinary use. No GMP claims are made. For regulated studies, source materials with appropriate certifications and documentation.

• Documentation to review

  • SDS for hazard assessment; CoA/Spec Sheet for identity, purity, and storage; internal method files for assay validation.

Physical Properties

Item-specific physicochemical data are not included in the current product listing.

• Item-specific values

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • 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.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
  • pKa: Not specified for this item; refer to CoA/Spec Sheet.
  • Refractive index/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

• General/literature context (not specific to this item)

  • Many small-molecule anti-inflammatory probes are moderately lipophilic (cLogP ~2–4, literature) and formulated as concentrated DMSO stocks for bioassays.
  • Aqueous solubility often improves with salt formation if ionizable centers are present (e.g., HCl or mesylate for basic amines; Na/K salts for acids), but applicability depends on structure.
  • For planning: confirm actual solubility by tiered tests (e.g., 1, 10, 50 mM in DMSO; 0.1–1% DMSO spiking into assay buffer) and verify by visual inspection and LC/UV.

• Practical notes

  • If the compound is a crystalline solid, gentle warming (≤40°C) and vortex/sonication can aid dissolution in DMSO.
  • Record solution stability (time, temperature, light) and re-check concentration periodically to detect precipitation or degradation.

Quality and Grades

• Item-specific status

  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
  • Stabilizers, residual solvents, and detailed impurity profile: Not specified for this item; refer to CoA/Spec Sheet.

• How to interpret grades (general guidance)

  • Research grade: typically suitable for discovery biology, screening, and mechanistic studies. Purity commonly reported by HPLC/UPLC area% and/or NMR; exact acceptance criteria vary by supplier and lot.
  • HPLC/UPLC purity reporting: area% at a specified wavelength and gradient; confirm with orthogonal methods (NMR, LC–MS) for critical studies.
  • Water/volatile content: often measured by KF/GC; if hygroscopic, expect tighter storage controls.

• What to look for on the CoA (practical checklist)

  • Identity: 1H NMR, MS m/z, retention time; optionally 13C NMR/HRMS.
  • Purity: HPLC area% with method details, and residual solvent profile.
  • Appearance and MP (if solid) or refractive index (if liquid), and assay conditions.
  • Lot-specific storage recommendations and retest date.

• Implications for bioassays

  • For target- or pathway-level conclusions, confirm batch-to-batch consistency and consider re-purification if needed for sensitive assays.
  • Record effective concentration ranges alongside lot number to ensure reproducibility.

Reaction and Applications

This product is positioned as a bioactive research tool rather than a synthetic reagent. No manufacturer reaction guidance is provided.

• Item-specific applications

  • Manufacturer Applications: Not specified beyond product name; no validated application set is provided in the listing.

• General laboratory applications for anti-inflammatory research (not specific to this item)

  • Cell-based pathway studies: interrogate NF-κB, MAPK (p38/JNK/ERK), JAK/STAT, and inflammasome signaling using reporter lines or phospho-protein readouts.
  • Cytokine modulation assays: quantify TNF-α, IL-1β, IL-6, PGE2 after LPS/TLR stimulation of macrophages or monocytes (e.g., RAW 264.7, THP‑1). Compare to known controls (e.g., dexamethasone or indomethacin) for benchmarking.
  • Enzyme panels: COX-1/2, 5-LOX, mPGES-1, iNOS activity with IC50 determination under standardized conditions.
  • Target deconvolution: chemoproteomics or CRISPRi/a sensitization screens to map mechanism of action when structure is available.

• Practical tips

  • Titrate concentrations over several logs (e.g., 0.001–30 μM) to define potency and cytotoxicity windows.
  • Control for solvent effects with matched DMSO levels; monitor precipitation in media by light scatter.
  • Use time-course designs to distinguish upstream signaling effects from downstream mediator inhibition.

Note: All uses are for research only; no clinical or diagnostic applications are implied.

Reaction Conditions

No chemical reaction conditions are specified for this item, and it is not presented as a synthetic reagent. The following guidance relates to preparing and using solutions in research assays (general, not item-specific).

• Stock solution preparation

  • Dissolve to 10–50 mM in anhydrous DMSO; vortex and, if necessary, sonicate briefly. Filter through 0.22 μm PTFE if particulate persists.
  • Store aliquots at −20°C to limit freeze–thaw; protect from light if chromophoric.

• Assay-use conditions (examples)

  • Enzymatic assays: 0.01–1% DMSO final; temperature 25–37°C; pre-incubate inhibitor 5–30 min before adding substrate; include solvent controls.
  • Cell-based assays: typical exposure 2–24 h; evaluate cytotoxicity in parallel (e.g., resazurin, CellTiter-Glo) to set non-toxic concentration ranges.

• Stability checks

  • Monitor by LC–MS or HPLC at t0 and post-incubation to detect degradation/adsorption. Consider adding antioxidant or inert atmosphere only if justified by stability data.

• Yield/kinetics

  • Not applicable; no synthetic transformations are associated with this item.

Safety and Handling

Safety data specific to this item are not provided here; always consult the product SDS for authoritative guidance.

• Item-specific safety

  • GHS classification: Not specified for this item; refer to SDS.
  • Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.

• General laboratory precautions for bioactive small molecules

  • Assume acute toxicity and potential skin/eye/respiratory irritation. Avoid inhalation of dust or aerosols.
  • PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile); use a fume hood for weighing and solution prep.
  • Avoid contact with strong oxidizers and strong acids/bases unless compatibility is known. Segregate from foodstuffs and incompatible reagents.
  • Prevent environmental release; collect waste in labeled organic waste streams.

• First-aid overview (general)

  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention.
  • Ingestion: rinse mouth; do not induce vomiting; seek medical attention.

• Handling notes

  • Prepare concentrated stocks in tightly sealed containers to minimize volatilization and contamination.
  • If photosensitivity is suspected, protect from light (amber vials/foil) and minimize exposure during handling.
  • Defer to institutional risk assessment; treat as “for research use only,” not for diagnostic, clinical, or household use.

Solvent Selection

Because structure-specific solubility data are not provided, adopt a staged solvent screening strategy commonly used for bioactive small molecules.

• Practical starting point (general)

  • Prepare a 10–50 mM DMSO stock solution; DMSO is broadly compatible with cell- and enzyme-based assays at 0.05–0.5% v/v final.
  • If aqueous work is required, test co-solvent systems: DMSO or ethanol (≤0.2–0.5%) into assay buffer or cell media.

• Secondary solvents (if DMSO not suitable; literature guidance)

  • DMF or NMP for highly lipophilic compounds (use sparingly due to cytotoxicity; ≤0.1% v/v final when possible).
  • Ethanol or isopropanol for moderate lipophilicity; check precipitation upon dilution.
  • PEG-400 or Captisol solutions (preclinical research) can improve solubility for in vivo exploratory work; ensure ethical and institutional approvals.

• Solvent selection decision guide

  • If compound dissolves at ≥10 mM in DMSO and remains clear after 100× dilution into buffer, proceed with DMSO stocks.
  • If precipitation occurs, evaluate pH adjustment (when ionizable) or employ surfactants (e.g., 0.01–0.05% Tween-80) compatible with the assay.

• Notes

  • Always verify solubility by visual inspection and/or nephelometry and confirm concentration by UV/LC when chromophores are present.
  • Filter-sterilize solutions for cell culture through PTFE or PES membranes if compatible; avoid adsorption losses by using low-bind plastics.

Storage and Reconstitution

• Item-specific instructions (from Product Data)

  • Storage Conditions: Store at −20°C.
  • Shipped In: Ice chest + Ice pads.

• Reconstitution (general guidance; not item-specific)

  • Solids: allow vial to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation. Dissolve in anhydrous DMSO to prepare a 10–50 mM stock unless CoA specifies otherwise.
  • Solutions: if supplied as a solution, verify concentration upon receipt and aliquot immediately.

• Aliquoting and handling

  • Prepare single-use aliquots in amber microvials to minimize freeze–thaw cycling and light exposure.
  • Thaw on ice or at room temperature; mix gently to avoid foaming. Do not heat above 40°C.

• Stability monitoring

  • Without structure-specific data, establish an internal stability profile by periodic HPLC/LC–MS checks (e.g., monthly at −20°C; weekly at 4°C).
  • Note any color change, precipitate, or loss of potency and refer to CoA for retest date.

• Additional notes

  • Appearance, water content, and exact solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • For research use only; not for human or veterinary use.

Structure and Identity

Brief description: Anti-inflammatory agent 43 (SKU A1440140) is a small-molecule research tool supplied for laboratory investigation of inflammation pathways. Structure-specific identifiers are not provided in the current listing.

• Item-specific facts (from Product Data)

  • SKU: A1440140
  • Product Name: Anti-inflammatory agent 43
  • CAS: 2364631-99-0
  • 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

  • Item-specific functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

• Descriptive 2D structure (general note)

  • Without a provided structure, no definitive description can be given. If a structure is disclosed on the CoA/Spec, describe it in terms of key motifs (e.g., aryl heterocycles, amide/urea motifs, carboxylates, sulfonamides) and any chiral centers.

• Cross-references

  • External identifiers beyond CAS are not provided; consult the CoA/SDS for any additional registry numbers or synonyms.

Synthetic Utility

This catalog entry is positioned as a final bioactive small molecule rather than a building block. Without structural information, synthetic applications cannot be assigned.

• Item-specific synthetic roles

  • Not applicable; no functional group data are provided to enable use as a reagent or intermediate.

• General considerations (not specific to this item)

  • If structural details become available, assess reactive handles (e.g., halides for cross-coupling, carboxylates/amines for amide coupling) and stability under common conditions (acid/base, redox, heat).
  • For SAR programs, consider late-stage diversification strategies (C–H functionalization, SuFEx, photoredox) if the scaffold supports it.

• Recommendation

  • Treat this product as a reference/tool compound. For synthetic elaboration or tagging (e.g., biotinylation, photoaffinity probes), obtain or derive a suitably functionalized analog rather than modifying the supplied material.

Target Specificity

Item-specific target(s), binding constants, and selectivity profile are not provided.

• General guidance for profiling anti-inflammatory tool compounds (literature context)

  • Primary targets to assess: COX-1/2, 5-LOX, mPGES-1, iNOS, IKKβ, p38 MAPK, JAKs, and NLRP3 inflammasome components.
  • Counter-screens: hERG, CYP450 isoforms, kinome panels, and broad receptor/ion channel panels to detect off-target liabilities.
  • Cellular readouts: NF-κB reporter assays, p65 nuclear translocation, phospho-p38/JNK/ERK, and cytokine secretion panels (TNF-α, IL‑1β, IL‑6, PGE2).

• Recommendation

  • Establish an internal target fingerprint for each lot using standardized panels. Report assay vehicle and conditions alongside potency metrics to ensure reproducibility.

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 2364631-99-0, the molecular formula is C34H42O22, and the molecular weight is 802.68 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.