| Size | Price | Stock | Qty |
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| 10mg |
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| Other Sizes |
| Targets |
The primary targets are the adenosine receptors, specifically the A2A and A2B subtypes. By acting as an antagonist at these receptors, it blocks the immunosuppressive effects of adenosine that accumulate in the tumor microenvironment, thereby enhancing anti-tumor immunity. It is a potent antagonist of the adenosine receptor.
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| ln Vitro |
It is a potent antagonist with a selective binding profile primarily targeting the A2A and A2B subtypes. By blocking these receptors, the compound has potential in cancer research to modulate the adenosine signaling pathway that plays a critical role in tumor immune evasion and progression. The IC50 values are not specified in the search results.
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| ln Vivo |
No specific in vivo activity data is available. Based on its mechanism, in vivo studies likely involve syngeneic mouse tumor models (e.g., CT26 colon carcinoma) treated with the compound to assess the reversal of adenosine-mediated immunosuppression. Endpoints would include tumor growth inhibition, increased infiltration of CD8+ T cells, and reduced levels of regulatory T cells (Tregs).
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| Enzyme Assay |
For a cell-free receptor binding assay, membranes from HEK293 cells stably expressing human adenosine A2A or A2B receptors are incubated with a radioligand (e.g., [3H]-CGS21680 for A2A) and various concentrations of the antagonist (0.1 nM to 10 uM) in 50 mM Tris-HCl buffer (pH 7.4) containing 1 mM EDTA, 10 mM MgCl2, and 1 uM adenosine deaminase. After incubation for 60-90 min at 25degC, the reaction is terminated by vacuum filtration over glass fiber filters. Bound radioactivity is measured by a scintillation counter to calculate inhibition constants (Ki) and IC50 values.
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| Cell Assay |
For in vitro functional assays, CHO-K1 cells expressing the adenosine A2B receptor are seeded and loaded with a cAMP detection reagent. Cells are pre-incubated with varying concentrations of the antagonist (0.1 nM to 10 uM) for 15-30 minutes, then stimulated with a specific A2B agonist (e.g., BAY 60-6583, 100 nM). Luminescence is measured to quantify intracellular cAMP levels. The antagonist's potency is determined by its ability to block the agonist-induced increase in cAMP, from which an IC50 value is calculated.
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| Animal Protocol |
A typical in vivo protocol for efficacy involves using a syngeneic mouse model (e.g., BALB/c mice bearing CT26 colon carcinoma). Once tumors reach ~100 mm3, mice are treated daily with the antagonist via intraperitoneal (IP) injection at a dose of 1-10 mg/kg. Tumor volumes are measured every 2-3 days. At the endpoint, tumor-infiltrating lymphocytes are analyzed by flow cytometry for markers like CD8, FoxP3, and granzyme B. Plasma is also collected for measuring cytokine levels (IFN-gamma, TNF-alpha) by ELISA to assess immune activation.
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| ADME/Pharmacokinetics |
This small-molecule research compound (MW: 322.39) is soluble in DMSO and is stable for up to 3 years as a powder at -20degC. It is typically used for in vitro biochemical and pharmacological studies. Its potency and selectivity profile makes it suitable for in vivo studies to investigate the role of adenosine signaling in cancer immunotherapy.
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| Toxicity/Toxicokinetics |
As a research chemical, specific toxicological data is limited. Standard laboratory safety precautions should be followed. It is not intended for diagnostic or therapeutic use. Users should consult the Safety Data Sheet (SDS) for detailed handling and hazard information. Eye and skin protection are recommended when handling the powder.
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| Additional Infomation |
Adenosine receptor antagonist 3 is a potent antagonist of the adenosine receptor with the potential for cancer disease research (extracted from patent WO2019233994A1, compound 1). It is a research compound intended for laboratory studies only and is not an approved drug. This compound provides a chemical probe for studying the role of adenosine in disease.
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| Molecular Formula |
C16H14N6S
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|---|---|
| Molecular Weight |
322.387560367584
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| Exact Mass |
322.1
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| CAS # |
2400864-80-2
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| PubChem CID |
146268692
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
410
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
XCADTDINRZIVIN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H14N6S/c1-10-3-2-4-11(7-10)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-23-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
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| Chemical Name |
2-[(3-methylphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
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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) |
DMSO : ~62.5 mg/mL (~193.86 mM)
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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 | 3.1018 mL | 15.5092 mL | 31.0183 mL | |
| 5 mM | 0.6204 mL | 3.1018 mL | 6.2037 mL | |
| 10 mM | 0.3102 mL | 1.5509 mL | 3.1018 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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