TLR7/8 agonist 4 - 10mM in DMSO , CAS No.2388520-33-8

CAS: 2388520-33-8 Cat. No.: T656751 Fórmula: C₁₈H₂₄N₆ Peso molecular: 324.42

GRADE & PURITY 10mM in DMSO

Storage

Protected from light,Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

TLR7/8 agonist 4 (compound 41) is a potent TLR7/8 agonist. TLR7/8 agonist 4 has anti-cancer activity

IC50& Target:TLR7 TLR8

Specifications

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

TLR7/8 agonist 4 (compound 41) is a potent TLR7/8 agonist. TLR7/8 agonist 4 has anti-cancer activity.

Condições de armazenamento de armazenamento

Protected from light,Desiccated,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Peso molecular

324.42

Application Protocols

Item-specific, validated application protocols and recommended working concentrations are not provided in the Product Data for this listing. Refer to the CoA/Spec Sheet and SDS, and validate conditions in your laboratory.

Documentation to consult:

• Certificate of Analysis (CoA): Identity, purity, any lot-specific potency notes.
• Safety Data Sheet (SDS): Hazards, handling, and disposal.

Internal development suggestions (non-prescriptive):

• Establish dose–response curves in your target cells (e.g., human PBMCs or TLR7/8 reporter lines) with appropriate vehicle and pathway controls.
• Confirm cytokine/reporter endpoints and viability in the same plate to separate efficacy from toxicity.

Because protocols must be item-specific, please verify all parameters with the CoA or contact technical support for additional guidance.

Biological Roles

General role of TLR7/8 agonists (literature/general knowledge):

• Targets: Toll-like receptor 7 (TLR7) and Toll-like receptor 8 (TLR8), endosomal pattern-recognition receptors that detect ssRNA and guanosine/uridine derivatives, initiating MyD88-dependent signaling.
• Pathways: Engagement drives IRAK4/IRAK1–TRAF6 signaling, culminating in NF-κB and IRF activation. Outputs include type I interferons, TNF-α, IL-6, and other proinflammatory cytokines, with cell-type-specific signatures (e.g., pDCs vs monocytes).
• Species differences: Human TLR8 is robustly responsive in monocytes/macrophages, while murine TLR8 is comparatively less responsive; mouse studies often emphasize TLR7-mediated responses.
• Research uses: Dissecting innate-adaptive crosstalk, dendritic cell maturation, adjuvant mechanisms, and synergy/antagonism with other PRRs (e.g., TLR3/4, STING).
• Kinetics: Endosomal acidification influences receptor activation; chloroquine/bafilomycin can modulate responses, useful as mechanistic controls.

Item-specific biological data (potency/selectivity, EC50, cytokine profiles): Not specified for this item; refer to CoA/Spec Sheet or determine empirically in your assay system.

Buffer Applications

This item is a bioactive small molecule, not a buffering agent. It has no intrinsic role as a pH buffer.

Practical notes for buffer use in assays (general guidance):

• Vehicle: Stocks are commonly made in DMSO and diluted into physiological buffers (e.g., PBS, HBSS) or complete cell culture media. Maintain consistent vehicle controls.
• Protein binding: Serum proteins can bind heteroaromatic agonists; compare responses in serum-free vs serum-containing media.
• pH/ionic strength: TLR7/8 activation occurs in endosomes where acidic pH is relevant; external buffer pH can affect uptake and stability of the compound.

Item-specific buffer compatibility and solubility: Not specified for this item; refer to CoA/Spec Sheet and verify in pilot experiments.

Green Alternatives

This product is a bioactive research tool rather than a process solvent or reagent; “green alternatives” thus focus on greener handling and formulation practices rather than replacement of the active itself.

Greener practice considerations (general):

• Solvent minimization: Use the lowest effective DMSO content compatible with assay performance; typical final DMSO ≤0.1–0.5% v/v in cell assays (literature/guidance).
• Solvent choice: Prefer DMSO over DMF/NMP for cell-based work due to lower toxicity and better biodegradability profile; avoid chlorinated solvents for stock preparation.
• Waste reduction: Prepare right-sized aliquots to avoid repeated freeze–thaw and discard; consolidate compatible organic wastes.
• Energy use: Store at the recommended ultra-low temperature but limit door-open time and batch sample retrieval to reduce energy load.

Comparison (class-level)

• DMSO vs DMF/NMP: DMSO is broadly considered the greener polar aprotic choice for bioassays; DMF/NMP are effective solvents but pose higher reproductive toxicity concerns.

Note: There is no direct “green” substitute for the biological function of a specific TLR7/8 agonist. Where feasible, consider lower-potency surrogates or shorter exposure windows to reduce material usage, validated against your assay’s dynamic range.

Pharmaceutical Uses

For research use only.

Context in formulation and development research (general, non-clinical):

• TLR7/8 agonists are studied as immunostimulatory components in preclinical adjuvant systems and as tool compounds to benchmark innate immune activation in ex vivo human PBMCs.
• Formulation research explores delivery systems that target endosomes (e.g., nanoemulsions, liposomes, polymeric nanoparticles) to modulate potency and tolerability in model systems.
• Salt forms and prodrugs are sometimes evaluated to improve solubility and stability; specific form for this item is not specified.

Regulatory/compendial status:

• No pharmacopeial monograph is implied by this listing. This product is not intended for human or veterinary use, diagnostic procedures, or as a drug substance.

Item-specific excipient compatibility, dosage form prototypes, or stability-indicating methods: Not specified for this item; refer to CoA/Spec Sheet or develop internally as part of preformulation screening.

Physical Properties

Item-specific physico-chemical specifications:

• 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 applicable/Not specified (solid bioactive; 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: Not applicable for solids; Not specified for this item.

General expectations for TLR7/8 agonists (literature/general guidance):

• Many members of this class are DMSO-soluble, with limited aqueous solubility unless salt forms are used.
• Basic heteroatoms often yield pKa values in the 5–9 range (class-dependent), affecting endosomal partitioning and potency.
• Aqueous working solutions are typically prepared by DMSO stock dilution with buffered media; solubility and stability are scaffold-dependent and must be confirmed per item.

Note: Where exact values are required for experimental design, consult the item’s CoA/Spec Sheet for authoritative, item-specific data.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet for assay method (e.g., HPLC/UPLC) and purity threshold.

How to interpret typical grades (general guidance):

• Research grade small-molecule agonists are commonly released with HPLC purity benchmarks (e.g., ≥95% or ≥98%) and identity by high-resolution MS and/or NMR. UV–Vis profile may be reported if relevant.
• Residual solvent and water content (e.g., KF) may be listed on the CoA; for moisture-sensitive materials, Karl Fischer values help plan handling.

Stabilization & format considerations:

• This listing specifies protection from light and desiccation; materials may be packaged in amber vials with desiccants under inert atmosphere. If a salt form is used or stabilizers are present, they will be declared on the CoA.
• For bioassay reproducibility, verify lot-specific potency data if provided (e.g., EC50 in cell-based TLR7/8 reporter assays). If not listed, run an internal qualification using a standard comparator agonist.

Recommendation:

• Before critical experiments, review the CoA for identity methods, purity, residual solvent, water, and any salt stoichiometry. Where applicable, perform incoming QC (HPLC area %, HRMS) to align with your lab’s acceptance criteria.

Reaction and Applications

This product is a bioactive small-molecule TLR7/8 agonist intended for research use, not a synthetic reagent.

• Synthetic reaction usage: Not typically applicable. It is not commonly employed as a reagent, ligand, or catalyst in organic synthesis. See “Biological Roles” and “Pharmaceutical Uses” for relevant applications.

Biological/assay applications (general research context):

• Tool compound for activating endosomal pattern-recognition receptors TLR7 and TLR8 to probe innate immune signaling (e.g., NF-κB, IRF7/IRF5 pathways) in human or murine cells (literature/guidance).
• Used in reporter gene assays, cytokine induction studies, dendritic cell maturation assays, and PBMC activation to map pathway dependencies (MyD88, IRAK4, TRAF6).
• Employed as a positive control in screening campaigns for TLR modulators.

Practical notes (general):

• Prepare concentrated DMSO stocks to minimize freeze–thaw; verify absence of precipitation upon dilution into assay buffers.
• Consider species selectivity: TLR7 and TLR8 responsiveness varies between human and mouse; verify activity in the intended species and cell type.

For item-specific potency, selectivity, and recommended in vitro concentrations, refer to the CoA or internal qualification data.

Reaction Conditions

Not typically applicable. This product is not used as a reagent or substrate in chemical reactions.

Assay-condition considerations (general research guidance for TLR7/8 agonists):

• Temperature: Standard cell culture conditions (37°C, 5% CO2) unless otherwise required by the assay format.
• Exposure time: Cytokine readouts often measured at 6–24 h; reporter assays may show responses within 4–8 h. Optimize per cell type.
• Vehicle: Maintain constant DMSO concentration across treatments. Verify absence of solvent-induced cytotoxicity.
• Controls: Include TLR7- or TLR8-selective reference agonists and pathway inhibitors (e.g., IRAK4 inhibitor) for specificity benchmarking.

Item-specific recommended concentrations, potency, and kinetics: Not specified for this item; establish empirically, beginning with a broad titration in your target system and referencing literature for analogous scaffolds.

Safety and Handling

GHS/Classification (item-specific):

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

Handling guidance (general best practice for small-molecule immune agonists):

• Use in a certified chemical fume hood or biosafety cabinet when formulating stocks or handling powders to avoid inhalation and dermal exposure.
• PPE: lab coat, nitrile gloves (double-gloving for concentrated stocks), and splash goggles. Consider particulate respirator if dust generation is possible.
• Avoid contact with strong oxidizers and strong acids/bases unless compatibility is documented.
• This item is light-sensitive and moisture-sensitive per Product Data; minimize ambient light, work quickly with desiccated tools and containers.
• Keep containers tightly closed; purge with dry inert gas if repeated access is expected.

First-aid overview (general; defer to SDS):

• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; obtain medical advice.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Waste & decontamination:

• Collect organic solvent waste separately; deactivate and dispose per institutional hazardous waste procedures. Clean surfaces with appropriate organic solvent followed by detergent and water.

Solvent Selection

Item-specific solubility data: Not specified for this item; refer to CoA/Spec Sheet.

General solvent guidance for TLR7/8 small-molecule agonists:

• Primary stock solvent: DMSO is typically preferred for heteroaromatic, moderately lipophilic agonists due to strong solvating power and assay compatibility at ≤0.1–0.5% v/v final DMSO in cell cultures (literature/guidance).
• Alternative solvents: DMF or NMP can solubilize some scaffolds but are less cell-friendly; ethanol or aqueous buffers with co-solvents/surfactants (e.g., PEG-400, Tween 80) may be options after compatibility testing.
• Aqueous media: Limited solubility is common without salt formation; if a defined salt form is supplied, solubility may improve in buffered saline.

Polarity and miscibility (class-level):

• DMSO is fully miscible with water and common cell culture media; gradual dilution minimizes precipitation. For precipitation-prone compounds, pre-warm media and add stock dropwise with mixing.

Selection tips:

• Choose the highest purity, anhydrous solvent (e.g., anhydrous DMSO) to maximize stability for freezer stocks.
• Verify that the final vehicle concentration does not confound readouts (include vehicle controls).

Note: For this specific item, confirm solubility limits, salt form, and recommended vehicle on the CoA before preparing stocks.

Storage and Reconstitution

Storage conditions (from Product Data):

• Store at −80°C.
• Protected from light.
• Desiccated.
• Shipped on dry ice packs + cold packs.

Handling notes:

• Allow shipment containers to equilibrate to room temperature before opening to minimize condensation; promptly transfer vials to −80°C storage in a desiccated, light-protected environment.
• Minimize freeze–thaw cycles by retrieving only what is needed per session.

Reconstitution:

• Reconstitution solvent, concentration, and aliquoting guidance: Not specified for this item; refer to CoA/Spec Sheet.

General best practices (non-item-specific):

• If permitted by the CoA, prepare concentrated stocks in anhydrous, sterile DMSO, filter if compatible, and dispense single-use aliquots in amber vials or foil-wrapped tubes.
• Record preparation date, solvent, and concentration on each aliquot; avoid repeated freeze–thaw and prolonged bench exposure.

Stability:

• Shelf-life and in-solution stability are not specified for this item; consult the CoA and perform pilot stability checks (e.g., LC–MS/HPLC after storage) under your intended conditions.

Structure and Identity

• Product name: TLR7/8 agonist 4 (SKU: T656751)
• CAS: 2388520-33-8
• 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 structural context (literature):

• TLR7/8 small-molecule agonists are commonly heteroaromatic nitrogen-rich scaffolds (e.g., imidazoquinolines, imidazopyridines, triazines) that mimic ssRNA degradation products to engage endosomal Toll-like receptors 7 and 8.
• Typical features include multiple ring systems, exocyclic amines or alkoxy substituents, and basic/heteroatom sites that influence endosomal uptake and receptor binding.
• 2D depiction (descriptive, class-level): fused bicyclic or tricyclic heteroaromatics bearing electron-donating substituents; protonatable nitrogens may confer lysosomotropic accumulation.

Item-specific identifiers beyond CAS have not been provided in the Product Data for this listing.

Synthetic Utility

This product is supplied as a bioactive tool compound and is not typically used as a synthetic reagent or building block.

• Functional-group reactivity: Not described for this specific item; refer to CoA/Spec Sheet if a particular salt form or protecting group is indicated.
• Named reactions/transformations: Not applicable; the compound is intended for biological assay use rather than chemical synthesis.

Guidance:

• If derivatization or immobilization is desired for probe development (e.g., photoaffinity tags, biotinylation), obtain structural details from the CoA or contact technical support to assess feasible attachment points without compromising TLR7/8 activity.

Conclusion:

• For synthetic chemistry objectives, select a disclosed scaffold with a known structure and reported functional handles. Use this product primarily for its intended role as a TLR7/8 pathway agonist in research assays.

Target Specificity

• Intended target class (from product name): Toll-like receptors TLR7 and TLR8 (endosomal PRRs).

Item-specific data:

• Species reactivity, selectivity bias (TLR7 vs TLR8), and off-target profiling: Not specified for this item; refer to CoA/Spec Sheet.

General considerations (literature):

• TLR7/8 agonists may exhibit species-dependent potency. Verify activity in human vs mouse systems as appropriate.
• Off-targets: High concentrations can trigger non-specific cytotoxicity or engage other nucleic acid–sensing pathways indirectly; use pathway controls to confirm on-target responses.

Note: Definitive target specificity metrics (e.g., EC50 values on human TLR7 vs TLR8 reporter cells) must be obtained from the CoA or determined experimentally with matched assay platforms.

Perguntas frequentes

How should this product be stored?

Store at ?80 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2388520-33-8, the molecular formula is C18H24N6, and the molecular weight is 324.42 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.