| Size | Price | Stock | Qty |
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| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
A2B receptor antagonist 1 targets the A2B adenosine receptor, a G protein-coupled receptor that is activated by adenosine. The A2B receptor is the lowest affinity adenosine receptor subtype and is activated by high concentrations of adenosine that accumulate under pathophysiological conditions such as hypoxia, inflammation, and ischemia. By blocking the A2B receptor, the antagonist prevents adenosine-mediated signaling pathways, including the activation of adenylyl cyclase and downstream cAMP-dependent signaling. The compound is a potent antagonist with high selectivity for the A2B receptor.
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| ln Vitro |
In vitro studies have demonstrated that A2B receptor antagonist 1 is a potent antagonist of the A2B adenosine receptor. The compound shows high affinity for the A2B receptor with potent antagonist activity. The compound's potency has been characterized in radioligand binding assays and functional assays measuring cAMP accumulation or calcium mobilization in cells expressing the A2B receptor. The antagonist activity is demonstrated by the compound's ability to block adenosine-induced or agonist-induced receptor activation. The compound is a valuable tool for studying the role of the A2B receptor in various physiological and pathophysiological processes.
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| ln Vivo |
In vivo activity of A2B receptor antagonist 1 is inferred from its potent in vitro antagonist activity at the A2B adenosine receptor. By blocking the A2B receptor, the compound may have therapeutic potential in conditions where A2B receptor signaling contributes to disease pathology, such as inflammatory diseases, cancer, asthma, and diabetes. The A2B receptor has been implicated in promoting inflammation, angiogenesis, and tumor growth, making it an attractive target for therapeutic intervention. However, specific in vivo data for this particular compound are not extensively documented in the available literature.
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| Enzyme Assay |
The in vitro receptor binding assay for A2B receptor antagonist 1 typically involves competition binding studies using membrane preparations from cells expressing the human A2B adenosine receptor. Radiolabeled A2B receptor antagonist (e.g., 3H-DPCPX or 3H-MRS1754) is incubated with membrane preparations and varying concentrations of A2B receptor antagonist 1 (typically 0.001 nM to 10 uM) in binding buffer (e.g., 50 mM Tris-HCl, pH 7.4, containing MgCl2 and EDTA) at room temperature for 1-2 hours. Bound and free ligand are separated by filtration through glass fiber filters, and radioactivity is measured by scintillation counting. The inhibition constant (Ki) is calculated from IC50 values using the Cheng-Prusoff equation. Non-specific binding is determined in the presence of excess unlabeled competitor.
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| Cell Assay |
In vitro cellular assays for A2B receptor antagonist 1 are conducted using cell lines expressing the human A2B adenosine receptor, such as CHO or HEK-293 cells stably transfected with the receptor. Cells are seeded in 96-well plates and treated with varying concentrations of A2B receptor antagonist 1 (typically 0.001 nM to 10 uM) in the presence or absence of an A2B receptor agonist (e.g., NECA or BAY 60-6583). Functional activity is assessed by measuring cAMP accumulation using a competitive immunoassay (e.g., AlphaScreen, HTRF, or ELISA) or by measuring intracellular calcium mobilization using fluorescent calcium indicators (e.g., Fluo-4). The antagonist potency (IC50 or Kb) is determined by assessing the compound's ability to inhibit agonist-induced responses.
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| Animal Protocol |
In vivo animal studies for A2B receptor antagonists typically involve administration to rodent models of inflammation, cancer, or other diseases where A2B receptor signaling is implicated. The compound may be administered orally, intraperitoneally, or intravenously at doses ranging from 0.1-50 mg/kg. In models of inflammation (e.g., carrageenan-induced paw edema, LPS-induced lung inflammation), the compound's ability to reduce inflammation is assessed by measuring inflammatory markers, edema, and leukocyte infiltration. In cancer models, the compound's effects on tumor growth, angiogenesis, and metastasis may be evaluated. Detailed protocols for this specific compound are not extensively documented.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of A2B receptor antagonist 1 are not extensively documented. The compound has a molecular weight of 392.45 and a molecular formula of C21H24N6O2. It is available for research purposes only. As a small molecule antagonist, the compound is expected to have properties consistent with drug-like molecules, including moderate lipophilicity and the potential for oral bioavailability. The compound is a research tool and its pharmacokinetic profile would typically be characterized in preclinical studies including determination of plasma half-life, clearance, volume of distribution, and bioavailability. However, specific parameters are not reported in the available literature.
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| Toxicity/Toxicokinetics |
The toxicological profile of A2B receptor antagonist 1 has not been extensively characterized. As a research compound, standard toxicity screening would include assessment of cytotoxicity in cell lines using MTT or similar assays. In animal studies, general toxicity parameters including body weight, clinical observations, hematology, clinical chemistry, and histopathology would be monitored. The compound is supplied for research use only and is not intended for human therapeutic use. No specific LD50 values or detailed toxicity profiles have been reported. The compound should be handled with appropriate safety precautions in a laboratory setting.
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| Additional Infomation |
A2B receptor antagonist 1 (CAS 531506-36-2) is a potent A2B adenosine receptor antagonist extracted from patent WO 2009157938A1 Example 9B. It is also known by the synonym EXAMPLE 9B. The compound's chemical name is 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The A2B adenosine receptor is a G protein-coupled receptor that is activated by adenosine under pathophysiological conditions such as hypoxia, inflammation, and ischemia. The compound is a research tool for studying A2B receptor signaling and has potential applications in inflammatory diseases and cancer. It is available for research purposes only.
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| Molecular Formula |
C21H24N6O2
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| Molecular Weight |
392.454263687134
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| Exact Mass |
392.196
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| CAS # |
531506-36-2
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| PubChem CID |
9821879
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
596
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4
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| InChi Key |
IWZAITCKZZQXCV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)
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| Chemical Name |
8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5481 mL | 12.7405 mL | 25.4810 mL | |
| 5 mM | 0.5096 mL | 2.5481 mL | 5.0962 mL | |
| 10 mM | 0.2548 mL | 1.2740 mL | 2.5481 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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