Anti-inflammatory agent 35 - ≥99% , CAS No.2293951-00-3

CAS: 2293951-00-3 Cat. No.: A649878 Fórmula: C₂₇H₂₉NO₈ Peso molecular: 495.52

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Anti-inflammatory agent 35 (compound 5a27) is an orally active curcumin analogue with anti-inflammatory activity. Anti-inflammatory agent 35 blocks mitogen-activated protein kinase (MAPK) signaling and p65 nuclear translocation of NF-kB. Anti-inflammatory agent 35 also inhibits yellow neutrophil infiltration and pro-inflammatory cytokine production. Anti-inflammatory agent 35 significantly attenuates lipopolysaccharide (LPS)-induced acute lung injury (ALI) in vivo

In Vitro

Anti-inflammatory agent 35 (compound 5a27) (10 μM; 30 min) inhibits the production of proinflammatory cytokines (IL-6, TNF-α) induced by LPS (0.5 μg/mL; 24 h) without cytotoxicity in mouse primary macrophages (MPMs). Anti-inflammatory agent 35 inhibits the production of IL-6, TNF-α with IC50s of 2.23 μM and 2.40 μM, respectively. Anti-inflammatory agent 35 (10 μM; 30 min) significantly inhibits LPS-induced activation in RAW 264.7 mouse macrophages. And it markedly inhibits p-p38 and p-ERK, decreases IκB level, indicating the suppression of MAPK and NF-κB signaling. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: RAW 264.7 mouse macrophages Concentration: 10 μM Incubation Time: 30 min; followed by incubation with 0.5 μg/mL LPS for another 30 min Result: Decreased the phosphorylation of p38 and ERK. And down-regulated IκB (inhibitor of NF-κB), inhibits the transcription of TNF-α, IL-6, IL-1β, ICAM-1.

In Vivo

Anti-inflammatory agent 35 (compound 5a27) (50 mg/kg; po; single dose, monitored 0-25 min) has a better bioavailability than curcumin . Anti-inflammatory agent 35 (10 mg/kg; ip; once daily for 1 week) improves LPS-induced ALI by inhibiting inflammation in mice model . The pharmacokinetic parameters in rats Route Dose (mg/kg) AUC (0-t) (μg/L·h) AUC (0-∞) (μg/L·h) MRT (0-t) (h) MRT (0-∞) (h) t 1/2 (h) T max (h) CLz/F (L/h/kg) Vz/F (L/kg) C max p.o 50 231.2 325.6 7.8 12.3 6.7 3.3 5062.6 827.1 113.3 i.v 5 34.3 122.4 11.3 19.9 0.2 0.1 404.4 59.5 16.4 MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: ALI mouse model (C57BL/6 mice) Dosage: 10 mg/kg Administration: Intraperitoneal injection, once daily for 1 week; 30 min later every dose, followed by 5 mg/kg LPS, intratracheal injection Result: Significantly normalized the wet/dry ratio of lungs.

Form:Solid

IC50& Target:p38 MAPK ERK I-kappaBalpha IL-6 p65 NF-κB

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Anti-inflammatory agent 35 (compound 5a27) is an orally active curcumin analogue with anti-inflammatory activity. Anti-inflammatory agent 35 blocks mitogen-activated protein kinase (MAPK) signaling and p65 nuclear translocation of NF-kB. Anti-inflammatory

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

Peso molecular

495.52

Propiedades químicas y físicas

• Solubilidad: DMSO : 16.67 mg/mL (33.64 mM; ultrasonic and warming and heat to 60°C)

Application Protocols

Item-specific validated applications

• Not specified for this item; no tested applications or dilutions are provided in the Product Data.

General workflow example (not item-specific; adapt to your assay SOP)

• Stock preparation: Dissolve compound in anhydrous DMSO to 10–20 mM. Vortex and sonicate briefly if needed. Protect from light (amber vial/foil). Record concentration by weight-in-volume or by quantitative NMR if a standard is available.
• Plate setup: Prepare serial dilutions in DMSO (e.g., 3-fold) and back-dilute into assay buffer or cell media to desired final concentrations with constant DMSO across wells (e.g., 0.1% v/v).
• Controls: Include vehicle-only, positive pathway control (well-characterized inhibitor appropriate to assay), and cytotoxicity control.
• Incubation: Follow assay-dependent times (e.g., 30–120 min for enzymatic assays; 4–24 h for cellular responses). Maintain low light exposure.
• Readout: Use the assay’s primary endpoint (e.g., reporter luminescence, ELISA for cytokines). Confirm absence of compound interference with detection reagents by counterscreens.
• Data: Fit concentration–response curves (4PL), report IC50/EC50 with 95% confidence intervals; verify reproducibility across at least three independent runs.

Biological Roles

Item-specific status

• Specific biological target(s) and mechanism(s) of action are not provided for this item.

General context for anti-inflammatory research compounds (not item-specific; research use only)

• Inflammation pathways frequently investigated include COX/LOX eicosanoid biosynthesis, NF-κB and MAPK signaling, JAK/STAT cascades, inflammasome activation (NLRP3), and pattern-recognition receptor pathways (TLR, cGAS–STING). Small molecules are used as probes to modulate these nodes in vitro.
• Typical readouts: cytokine/chemokine secretion (e.g., TNF-α, IL-1β, IL-6), transcriptional reporters, phospho-protein levels (Western blot/ELISA), and lipid mediator profiling by LC–MS.
• Selectivity and off-target assessment: counterscreens against kinases, ion channels, and redox enzymes; ADME profiling (metabolic stability, plasma protein binding, permeability) supports interpretation of cellular data.

Caveats

• Without target annotation for this item, do not assume COX inhibition or any specific pathway interaction. Empirical testing is required to establish mechanism in your system.

Buffer Applications

Applicability

• This product is a small-molecule screening compound, not a buffering reagent. It does not define buffer pH or capacity.

Practical notes (general, not item-specific)

• For biological assays, prepare working solutions by diluting a DMSO stock into assay buffer (e.g., PBS, HBSS, or cell culture media) ensuring final DMSO is within assay tolerance (often ≤0.5–1%).
• Maintain amber labware or foil wrapping to comply with “Protected from light.”
• If precipitation occurs upon dilution, increase dilution factor, adjust temperature, or incorporate acceptable levels of cosolvent/surfactant per assay SOP.

Green Alternatives

Context

• Without a disclosed structure, greener chemistry considerations focus on solvent handling and assay workflow rather than the molecule itself.

Greener handling strategies (general guidance)

• Prefer DMSO over DMF/NMP when feasible due to lower hazard profiles and better waste management options.
• For preparative dissolution, try ethanol or isopropanol as interim solvents before resorting to DMF/NMP; confirm assay compatibility.
• Minimize concentration of organic cosolvents in working buffers (e.g., ≤1% DMSO) while maintaining solubility to reduce environmental load.
• Use microscale formats (384/1536-well) to cut solvent consumption.
• Implement solvent recycling where compliant and safe for non-biological operations.

Illustrative comparison (not item-specific)

• DMSO: High solvency, miscible with water, comparatively favorable EHS profile; common for 10–50 mM stocks.
• DMF/NMP: Powerful solvents but with more stringent EHS concerns; use only if necessary and keep volumes minimal.
• Ethanol/i-PrOH: Greener options for intermediate dissolution but may limit solubility for lipophilic chemotypes.

Pharmaceutical Uses

Item-specific status

• No pharmacopeial status, excipient role, or formulation specifications are provided for this item. It is supplied strictly for research use only (as stated in Product Data).

General, non-clinical context (not item-specific)

• Compounds annotated as “anti-inflammatory agent” in discovery settings are commonly employed as reference controls or test articles in nonclinical assay development, screening cascades, and mechanistic studies.
• They may serve as analytical reference materials (e.g., LC–MS method development) if a structure is available and validated; for this item, structure is not provided—confirm identity before any analytical use.

Physical Properties

Item-specific (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.

Typical/literature guidance for small-molecule screening compounds (not item-specific)

• Melting point (solids): frequently 80–250 °C (literature, broad range). Specific MP for this item: Not specified; refer to CoA/Spec Sheet.
• Boiling point (if liquid): varies widely. Not specified for this item.
• LogP/cLogP: not specified for this item; consult CoA or internal medicinal chemistry records.
• pKa: not specified for this item; depends on ionizable groups.
• Solubility: not specified for this item. For assay work, a DMSO stock (e.g., 10–50 mM) is commonly prepared for hydrophobic compounds; aqueous solubility will depend on structure and pH.
• Density, refractive index: Not specified for this item.

Practical notes

• Until the structure is known, empirically determine solubility in DMSO, DMF, and ethanol before buffer dilution. Filter sterilize assay working solutions if required.

Quality and Grades

Item-specific (from Product Data)

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

How to interpret grades (general guidance; not item-specific)

• Screening library compounds are typically supplied at synthetic or analytical purity suitable for biochemical/cell-based assays. When stated, “≥95% (HPLC)” indicates area% by HPLC with defined detection parameters; “LC–MS confirmed” indicates mass identity but not necessarily purity.
• Low-residual-solvent specifications, water content (Karl Fischer), and salt form identity are crucial for reproducibility; verify on the CoA.

What to confirm on receipt

• Identity confirmation: LC–MS and NMR (1H, 13C) against provided structure, once available.
• Purity trace: HPLC/UPLC method, gradient, and UV wavelengths.
• Counterion/salt form: If a salt is supplied, determine equivalent free-base/acid mass for dosing.
• Stabilizers: None specified for this item. If any stabilizer/antioxidant is present, it will be listed on the Spec Sheet.

Documentation

• For any missing specifications (metal limits, residual solvents, UV cutoff, water content), status is: Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

Applicability to chemical reactions

• This product is positioned as a bioactive small molecule for anti-inflammatory research screening. It is not primarily supplied as a synthetic reagent or catalyst. Therefore, named-reaction usage and stoichiometric transformations are not typically applicable.

Research applications (general, not item-specific)

• Target discovery and screening: Use as a test article in biochemical assays (e.g., enzymatic pathways involved in inflammation) and in cell-based reporter assays (e.g., NF-κB, AP-1, interferon response reporters) to study pathway modulation.
• Chemical biology: Probe concentration–response relationships, reversibility of effect, and pathway selectivity by counterscreening across orthogonal assays.
• Phenotypic assays: Evaluate effects on cytokine release (e.g., LPS-stimulated macrophages) or inflammasome activation, with appropriate controls and analytics (ELISA, qPCR, Western blot for pathway markers). No therapeutic claims; research use only.

Methodological notes

• Confirm identity/purity by LC–MS/HPLC prior to mechanistic studies.
• Determine solubility and adsorption losses (plasticware binding) before screening runs; use low-bind plates and amber labware to limit light exposure as specified for this item.
• Include vehicle controls and cytotoxicity counterscreens (e.g., resazurin, CellTiter) to distinguish pathway modulation from general cell stress.

Reaction Conditions

Not typically applicable

• This product is supplied as a screening compound rather than a reagent for carrying out chemical reactions; no item-specific reaction conditions apply.

General assay preparation conditions (not item-specific)

• Stock solutions: Commonly 10–50 mM in anhydrous DMSO; filter (0.22 µm) if particulate is present; store at −20 to −80 °C in amber vials. For this item, dry, light-protected storage at −80 °C is specified for the solid; apply similar caution to solutions.
• Working concentrations: Determine empirically (e.g., 0.01–50 µM) with vehicle-matched controls; avoid exceeding the assay’s DMSO tolerance.
• Stability checks: Verify potency after freeze–thaw by LC–MS or HPLC and functional assay. Discard solutions showing precipitation, discoloration, or significant degradation.

Safety and Handling

GHS/Regulatory (item-specific)

• Signal word: Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.
• GHS classification and pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (not item-specific; follow institutional SOPs)

• Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Work in a chemical fume hood when weighing or dissolving powders or handling volatile solvents.
• Avoid inhalation, ingestion, and skin/eye contact. Wash thoroughly after handling.
• Incompatibilities: Unknown for this item. As a precaution, keep away from strong oxidizers/reducers and acids/bases until compatibility is established.
• Light sensitivity: Product Data specifies “Protected from light.” Minimize light exposure during handling (use amber vials/foil wrap).
• Special risks: If the compound contains reactive functionalities (unknown here), additional precautions may apply. Always defer to the SDS.

First-aid overview (consult SDS for authoritative guidance)

• Skin/eye contact: Rinse with water for several minutes; remove contaminated clothing; seek medical attention if irritation persists.
• Inhalation: Move to fresh air; seek medical attention if symptoms occur.
• Ingestion: Rinse mouth; seek medical advice.

Waste disposal

• Collect waste according to local regulations for organic small molecules and DMSO/organic solvent mixtures.

Solvent Selection

Item-specific constraints

• Structure and intrinsic solubility are not provided. The product must be protected from light and stored at −80 °C, suggesting potential light sensitivity and/or limited stability in solution.

General selection strategy for small-molecule screening compounds (not item-specific)

• Primary stock solvent: DMSO is the default for discovery screening due to broad solvating power and compatibility with biological assays.
• Secondary solvents for pre-dissolution (if needed): DMF or N-methyl-2-pyrrolidone (NMP) can help dissolve highly lipophilic solids before DMSO or buffer dilution; verify assay compatibility.
• Cosolvent systems: For aqueous working solutions, common vehicles include 0.5–2% DMSO in buffer; add nonionic surfactant (e.g., 0.01–0.05% Tween 80 or Pluronic F-68) if precipitation occurs (check assay tolerance).
• pH adjustment: If the compound is ionizable (unknown here), adjust buffer pH to favor solubility (acidic for bases, basic for acids) while maintaining biological relevance.

Comparison (guidance, not item-specific)

• DMSO vs ethanol: DMSO generally affords higher solubility and better freeze–thaw stability; ethanol can be preferable for membrane assays sensitive to DMSO.
• Aqueous buffers: Use after forming a clear, particulate-free DMSO stock; avoid direct dissolution into water unless solubility is known.

Practical tips

• Prepare small, single-use DMSO aliquots (e.g., 10–50 mM) to minimize light and air exposure during repeated access.

Storage and Reconstitution

Item-specific (from Product Data)

• Storage conditions: Store at −80 °C. Protect from light.
• Shipping: Dry ice packs + cold packs.

Reconstitution and handling (general guidance; not item-specific)

• Upon receipt: Keep frozen and protected from light. Allow to equilibrate to room temperature in sealed packaging to avoid condensation before opening.
• Initial aliquoting: If supplied as a solid, quickly subdivide into amber microvials under low light, nitrogen if feasible, and return unused portions to −80 °C. If supplied in solution, maintain at −80 °C and avoid repeated freeze–thaw.
• Stock solutions: Prepare in anhydrous DMSO at an appropriate concentration (e.g., 10–50 mM) based on solubility tests. Filter if particulate is present. Store aliquots at −80 °C, protected from light.
• Freeze–thaw guidance: Use single-use aliquots to minimize degradation. Document number of freeze–thaw cycles; discard aliquots after one cycle unless stability is verified by LC–MS/HPLC.
• Stability/shelf life: Not specified for this item; refer to CoA/Spec Sheet. Verify integrity periodically by analytical methods (HPLC/LC–MS) and functionally in your assay.
• Compatibility: Prior to aqueous dilution, confirm that the DMSO stock forms a clear solution; avoid prolonged exposure to ambient light and temperature during assay setup.

Research Use Note

• For research use only. Not for human or veterinary use.

Structure and Identity

Item-specific (from Product Data)

• SKU: A649878
• Product name: Anti-inflammatory agent 35 (screening compound)
• CAS: 2293951-00-3
• 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 structure is not disclosed in the Product Data. No ring systems, functional groups, or stereochemistry can be described for this specific item without its structure.

General notes (context, not item-specific)

• “Anti-inflammatory agent” screening compounds typically span diverse chemotypes (e.g., arylamides, heteroaryl sulfonamides, peptidomimetics, kinase hinge-binders). Without a structure, do not infer functional groups or reactive handles.
• If structure becomes available, document: core scaffold, heteroatoms (HBA/HBD), protonation states, stereocenters, and any photo- or redox-active motifs relevant to handling and assay design.

Synthetic Utility

Applicability

• Without a disclosed structure, this item is not positioned as a building block or reagent. Synthetic utility cannot be defined for this specific item.

General note (not item-specific)

• If structural information becomes available and reveals functional handles (e.g., aryl halide, carboxylic acid, amine), derivatization via cross-coupling, amide bond formation, or late-stage diversification may be feasible for SAR exploration. Until then, treat as a finished probe molecule rather than a synthon.

Target Specificity

Item-specific

• Target(s), pathway annotation, binding constants, and selectivity profile: Not specified for this item; refer to CoA/Spec Sheet or internal screening data if available.

Guidance (general, not item-specific)

• Establish specificity by orthogonal assays (biochemical vs. cellular), inactive analog controls, and counterscreens against key off-target families (kinases, nuclear receptors, ion channels, CYPs) as appropriate to your biology.