A2AR-agonist-1 - 10mM in DMSO , CAS No.41552-95-8

CAS: 41552-95-8 Cat. No.: A656508 Summenformel: C₂₀H₂₂N₆O₄ Molekulargewicht: 410.43 PubChem CID: 219015

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

A2AR-agonist-1 is a potent A2AR and ENT1 agonist with Ki of 4.39 and 3.47 for A2AR and ENT1.IC50 value: 4.39 and 3.47 (Ki) Target: A2AR and ENT1A2AR-agonist-1 is a novel dual-action compound, targeting the Adenosine A2A Receptor and Adenosine Transporter for Neuroprotection.

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

A2AR-agonist-1 is a potent A2AR and ENT1 agonist with Ki of 4.39 and 3.47 for A2AR and ENT1.\nIC50 value: 4.39 and 3.47 (Ki) \nTarget: A2AR and ENT1\nA2AR-agonist-1 is a novel dual-action compound, targeting the Adenosine A2A Receptor and Adenosine Tr

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

AGONIST

Namen und Kennungen

• Isomere SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
• PubChem CID: 219015
• Molekulargewicht: 410.43

Application Protocols

No tested applications or protocols are provided in the Product Data for SKU A656508.

General guidance for small-molecule tool compounds (not item-specific performance claims):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and sonicate briefly if needed. Filter (0.2 μm PTFE) if particulate remains and the compound is filter-stable.
• Aliquoting: Dispense single-use aliquots (e.g., 10–50 μL) and store at −80°C to avoid freeze–thaw cycling.
• Working solutions: Dilute into assay buffer or media to the desired final concentration, maintaining constant DMSO across all wells (commonly 0.1–0.5% v/v).
• Controls: Include vehicle control, known A2AR agonist as positive control, and a selective A2AR antagonist to confirm pathway specificity.
• Data quality: Generate full concentration–response curves (≥10 points, 0.5-log spacing) with replicates; monitor for cytotoxicity or nonspecific effects as needed.

For validated, product-specific protocols, consult the CoA/Spec Sheet or contact technical support.

Biological Roles

General biology context for adenosine A2A receptor (A2AR) agonism (literature-based; not item-specific claims):

• A2AR is a class A GPCR predominantly coupling to Gs. Agonist binding elevates intracellular cAMP, activating PKA and downstream effectors (e.g., CREB phosphorylation), with cell-type-dependent modulation of ERK and AKT pathways.
• Endogenous ligand: adenosine. Extracellular adenosine concentrations rise during metabolic stress, hypoxia, or high neuronal activity, dynamically engaging adenosine receptors (A1, A2A, A2B, A3) with distinct signaling profiles.
• Receptor systems biology: A2AR forms functional microdomains and may heteromerize with other GPCRs (reported in literature), influencing signaling bias and pharmacology.
• Experimental roles of A2AR agonists: tools to probe cAMP-dependent signaling cascades; modulators of neurotransmission and immunoregulatory pathways in vitro; agents for receptor occupancy and desensitization/resensitization studies.
• Selectivity considerations: Distinguish A2AR vs. A1/A2B/A3 engagement via antagonist controls, gene knockdown/knockout, or CRISPR-engineered lines. Off-target GPCRs can confound results; apply orthogonal assays.

Important: All uses are for research only. No medical or clinical claims are made for SKU A656508.

Buffer Applications

This product is not a buffering agent. However, appropriate buffer systems are essential for receptor assays in which this compound may be tested (general guidance):

• Common assay buffers: HBSS or PBS supplemented with HEPES (10–25 mM) for pH stability at 37°C; Mg2+/Ca2+ levels as required by the assay.
• cAMP assays: CO2-independent buffers or HEPES-buffered media are often used to maintain pH during plate handling. Include phosphodiesterase inhibitors (e.g., IBMX) if required by the assay design.
• Binding assays (membranes): Tris-HCl or HEPES buffers (pH 7.4) with NaCl/KCl; include BSA (0.1–1%) to minimize nonspecific binding when appropriate.

Always validate buffer composition for compatibility with the specific detection method and ensure vehicle controls (e.g., DMSO) are matched across all wells.

Green Alternatives

Green chemistry considerations primarily concern solvent handling for stock preparation and assay dilution, as the compound itself is the variable of interest.

• Prefer minimal DMSO concentration in working solutions (≤0.1–0.5% v/v) to reduce solvent burden without compromising solubility.
• Where feasible, consider aqueous vehicles with solubilization aids compatible with biology (e.g., hydroxypropyl-β-cyclodextrin, polysorbate at very low levels), provided they do not affect receptor pharmacology.
• Replace chlorinated solvents (e.g., dichloromethane) with greener options during any in-house analytical sample prep (e.g., ethyl acetate or 2-MeTHF), recognizing this pertains to analytical workflows rather than use of the product in assays.

Illustrative comparison (general; not item-specific):

• DMSO vs. DMF: DMSO is preferred for biocompatibility at low percentages; DMF is less favored in live-cell systems.
• Ethanol vs. isopropanol: Ethanol often has better biocompatibility but lower solvating power for polar heteroaromatics compared to DMSO.

Note: Maintain scientific controls to deconvolute solvent effects from receptor-mediated responses, and document final vehicle composition in all reports for reproducibility.

Pharmaceutical Uses

No pharmacopeial or excipient status is provided for this item. It is supplied strictly for research use.

• Regulatory status: For research use only; not for human or veterinary use, diagnostic procedures, or clinical applications.
• Potential roles in pharmaceutical research (general, not item-specific):
  • Reference agonist in A2AR target validation, assay development, and structure–activity relationship (SAR) benchmarking.
  • Tool compound for receptor occupancy studies and evaluation of signaling bias in discovery programs.
  • Positive control for screening and HTS/compound profiling platforms involving A2AR.

If use in regulated studies is contemplated, obtain lot-specific documentation (CoA, impurity profiles) and perform in-house qualification according to institutional SOPs.

Physical Properties

Item-specific physicochemical properties have not been provided.

• 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 typically reported for bioactive solids; 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: Not applicable for solids; Not specified for this item; refer to CoA/Spec Sheet.

General literature guidance for A2AR agonists (not item-specific):

• Many A2AR agonists are moderately polar and are commonly prepared as DMSO stock solutions (e.g., 10–50 mM) for biochemical or cell-based assays.
• Solubility often improves with mild warming (≤40°C) and sonication; aqueous solubility may require co-solvent (DMSO 0.1–1% v/v in final assay) or salt formation when appropriate.

Important: Do not treat the above as specifications. For exact, validated properties of SKU A656508, consult the CoA/Spec Sheet and SDS.

Quality and Grades

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

Interpretation and guidance:

• Bioactive screening compounds are typically provided at research grade, suitable for target validation, assay development, and hit-to-lead workflows. When the exact purity/grade is unspecified, rely on the lot-specific CoA for assay-suitable specifications (e.g., HPLC area %, identity confirmation method, and residual solvent limits when available).
• UV/Chromatography considerations: Without a declared “HPLC grade” solvent requirement or “LC-MS grade” designation, assume the compound should be compatible with standard LC or LC–MS characterization, but verify UV cutoffs and potential in-source fragmentation using the CoA/SDS.
• Stabilizers: None stated. If instability is suspected (e.g., hydrolysis, oxidative degradation), consider storing under inert atmosphere and preparing fresh aliquots. Confirm whether any stabilizers are present on the CoA.

Recommendations for use:

• Request CoA/Spec Sheet prior to critical studies to confirm identity, purity, and salt form (free base vs. salt) as these impact molecular weight, solubility, and dosing calculations.
• For quantitative biology or medicinal chemistry, consider in-house verification (orthogonal purity assessment by LC–MS/UPLC and NMR) before use in pivotal experiments.

Reaction and Applications

This product is a bioactive small molecule intended as an adenosine A2A receptor agonist. It is not typically used as a synthetic reagent or catalyst.

Research applications (general, literature-based; not item-specific performance claims):

• Target engagement assays: cAMP accumulation (Gs-coupled A2AR), CRE-reporter activation, or PKA substrate phosphorylation in A2AR-expressing cells.
• Binding studies: Displacement of radioligands or fluorescent probes in membranes or intact cells expressing human or rodent A2AR.
• Signaling cross-talk: Assessment of A2AR-driven modulation of MAPK/ERK, AKT, or PLC pathways depending on cell context.
• Pharmacology profiling: Concentration–response curves to estimate apparent potency (EC50) and efficacy; Schild analysis with selective antagonists to confirm receptor mediation (e.g., ZM241385 as a control antagonist—literature example).
• Selectivity panels: Counter-screening against A1, A2B, and A3 adenosine receptors and a broader GPCR panel to assess selectivity.

Practical tips:

• Prepare fresh DMSO stocks and minimize light/air exposure if degradation is suspected.
• Verify receptor expression level (RT-qPCR or Western, where applicable) and include antagonist controls to attribute effects to A2AR.
• Calibrate assay window with a known reference A2AR agonist to benchmark performance.

For chemical transformations or named reactions, this item is not applicable.

Reaction Conditions

Not applicable. A2AR-agonist-1 is not intended for use as a reagent in chemical reactions.

Assay conditions (general guidance for biological testing; not item-specific):

• cAMP accumulation assays: 10–37°C handling, typical incubation 10–30 minutes after agonist addition; detection via HTRF, AlphaScreen, or ELISA formats.
• Binding assays: Equilibration at 25–37°C depending on ligand kinetics and membrane prep; time to equilibrium may vary from minutes to hours.
• Live-cell readouts: Maintain consistent vehicle (DMSO) concentration across wells; include antagonist or knockout controls to confirm specificity.

These are illustrative conditions for biological evaluation only and should be optimized empirically for each assay format and cell system.

Safety and Handling

Safety data specific to A2AR-agonist-1 are not provided in the Product Data. Handle as a research chemical of unknown hazards.

• GHS classification, pictograms, signal word, H-statements: Not specified for this item; refer to SDS.
• General laboratory PPE: lab coat, safety glasses, and suitable chemically resistant gloves (e.g., nitrile). Use a certified chemical fume hood when handling powders, preparing stock solutions, or weighing the compound.
• Storage conditions (per Product Data): Store at −80°C. Minimize freeze–thaw cycles by aliquoting solutions upon first dissolution.
• Incompatibilities (general): Avoid contact with strong oxidizers and bases/acids until compatibility is known. Keep away from moisture and light until stability is established.
• First aid (general guidance; 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, seek medical attention if irritation persists.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel.
• Spill response (general): Avoid dust formation; absorb solutions with inert material; collect for disposal according to institutional and local regulations.
• Waste disposal: Dispose as organic laboratory waste in accordance with local regulations and institutional procedures.

Always consult the official SDS for authoritative safety and hazard information before use.

Solvent Selection

Item-specific solubility data are not provided. For small-molecule receptor agonists, DMSO is typically the primary solvent for stock preparation due to broad solvating power and assay compatibility at low percentages.

Practical guidance (general, not item-specific):

• Preferred solvent for stocks: DMSO (10–50 mM) with aliquoting at −80°C. Filter sterilize (0.2 µm) if sterility is required for cell assays and the compound is filter-stable.
• Aqueous use: Dilute DMSO stocks into assay buffer (e.g., HBSS, PBS, or HEPES-based media) to a final DMSO concentration of 0.1–0.5% v/v unless the assay tolerates higher levels. Pre-wet pipette tips to minimize adsorption.
• Alternative co-solvents: DMF or ethanol may be explored if DMSO is incompatible, but confirm assay tolerability and compound stability.
• pH effects: If the compound contains ionizable groups (common among A2AR agonists), solubility may improve at adjusted pH. Avoid extreme pH unless stability is verified.

Small comparison (general):

• DMSO: highest solvency; excellent for stocks; potential cellular effects >0.5–1%.
• Ethanol: volatile; lower solvency for polar heterocycles; often limited to ≤0.1–0.5% in cells.
• Aqueous buffer alone: often insufficient for hydrophobic or amphiphilic agonists without co-solvent or cyclodextrin.

Always confirm solubility and stability experimentally for SKU A656508.

Storage and Reconstitution

Item-specific storage and shipping (per Product Data):

• Storage Conditions: Store at −80°C.
• Shipped In: Dry ice packs + cold packs.

Reconstitution guidance (general, not item-specific):

• Upon receipt, allow the container to equilibrate to room temperature in a desiccator before opening to minimize condensation.
• Prepare concentrated stock solutions in anhydrous DMSO (typical 10–50 mM), aliquot into low-bind tubes, purge headspace with inert gas if stability warrants, and store at −80°C.
• Avoid repeated freeze–thaw cycles; thaw an aliquot once, use immediately, and discard leftovers or refreeze only if stability has been established experimentally.
• Protect from light if the compound contains photo-labile motifs (verify from structure on CoA/Spec Sheet).
• For aqueous use, dilute DMSO stock into pre-warmed buffer/media with mixing to prevent precipitation. If turbidity occurs, reduce concentration, adjust co-solvent fraction, or gently sonicate.

Stability and shelf-life: Not specified for this item; refer to CoA/Spec Sheet and perform in-house stability checks (LC–MS/UPLC) for long-term studies.

Structure and Identity

A2AR-agonist-1 (SKU A656508) is listed as a small-molecule tool compound intended to activate the adenosine A2A receptor (A2AR). Item-specific structural identifiers have not been provided in the Product Data.

• CAS: 41552-95-8 (per Product Data)
• PubChem CID: 219015 (per Product Data)
• Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
• 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 (general, literature context):

• Many A2AR agonists are purine nucleoside analogs (adenosine derivatives) or heteroaromatic small molecules bearing H-bond donors/acceptors suited for the A2AR orthosteric site (general literature information, not specific to this item).
• Typical functional groups (literature): purine-like cores, ribose or ribose mimetics, amide/carbamate substituents, and polar sidechains facilitating receptor engagement.

2D structure description: Not specified for this item; refer to CoA/Spec Sheet.

Note: Where exact identifiers are required for method development or registration, consult the item’s Certificate of Analysis (CoA) or Specification Sheet.

Synthetic Utility

This compound is supplied as a bioactive small molecule and is not intended as a synthetic building block.

• Applicability to synthesis: Not typically used as a reagent, catalyst, or monomer. Functional group interconversions on such agonists are research activities in medicinal chemistry but are outside the scope of routine use.
• If derivatization is required (e.g., probe development, biotinylation, photoaffinity tags), consult the structure on the CoA/Spec Sheet to identify feasible handles (amines, alcohols, carboxyls) and assess the impact of modification on receptor affinity and efficacy.
• Analytical characterization for any derivative should include LC–MS, 1H/13C NMR, purity assessment (UPLC), and, where relevant, chiroptical or chiral HPLC methods.

In summary, A2AR-agonist-1 is best treated as a finished tool compound rather than a synthetic intermediate.

Target Specificity

Only information from Product Data is reported here.

• Target designation (from product name): A2A adenosine receptor (A2AR) agonist. No additional target validation, Ki/EC50, or selectivity data are provided for this SKU.
• Species reactivity, isoform preference, and off-target profile: Not specified for this item; refer to CoA/Spec Sheet or internal qualification data.

Recommendation: Verify A2AR dependence in your system using appropriate controls (e.g., selective antagonists, genetic perturbation) and include orthogonal assays to confirm specificity.

Häufig gestellte Fragen

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

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 41552-95-8, the molecular formula is C20H22N6O4, and the molecular weight is 410.43 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.