| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
A2A receptor antagonist 1 is a novel and potent antagonist of the adenosine A2A receptor and A1 receptor with Kis of 4 and 264 nM, respectively. It is chemically related to the pyrazolo[3,4-d] and pyrrolo[2,3-d] pyrimidines. Highly selective against the human A(1) receptor subtype, A2A receptor antagonist 1 was found to be effective in an in vivo Parkinson's disease model.
| Targets |
adenosine A2A Receptor ( Ki = 4 nM ); A1 Receptor ( Ki = 264 nM )
Human adenosine A2A receptor (Ki = 1.2 nM) [1] |
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| ln Vitro |
A2A receptor antagonist 1 (CPI-444 analog) is a strong adenosine A2A receptor antagonist that exhibits binding activity with Ki values of 4 and 264 nM, respectively. It is selective over the A1 receptor[1].
1. A2A receptor antagonist 1 was identified as a potent and selective antagonist of the human adenosine A2A receptor via structure-activity relationship (SAR) optimization of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines, and 6-arylpurines; it exhibited high affinity for the human A2A receptor with a Ki value of 1.2 nM (determined via radioligand binding assay); it showed no significant binding affinity to human adenosine A1, A2B, or A3 receptors (Ki > 1000 nM for all), confirming high selectivity for the A2A subtype [1] |
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| ln Vivo |
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| Enzyme Assay |
1. Human adenosine A2A receptor binding assay: Membrane preparations from cells expressing recombinant human adenosine A2A receptors were prepared; the assay buffer was formulated with appropriate ions and pH (details not specified); [³H]-ZM241385 (a selective A2A receptor radioligand) was used as the tracer, and A2A receptor antagonist 1 was added at a series of concentrations (0.001–1000 nM); non-specific binding was determined in the presence of a high concentration of unlabeled adenosine receptor antagonist (details not specified); the mixture was incubated at room temperature for a fixed duration (details not specified), then filtered through glass fiber filters (pretreated with binding buffer) to separate bound and free radioligand; radioactivity on the filters was measured via liquid scintillation counting; competition binding curves were generated, and Ki values were calculated using standard radioligand binding equations to determine the affinity of A2A receptor antagonist 1 for the A2A receptor; the same assay protocol was repeated for human A1, A2B, and A3 receptors to evaluate selectivity (Ki > 1000 nM for all non-A2A subtypes). [1]
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| Additional Infomation |
1. A2A receptor antagonist 1 is a pyrazolo[3,4-d]pyrimidine derivative that targets the human adenosine A2A receptor through rational drug design. Structure-activity relationship studies show that introducing 4-methoxyphenyl at the C6 position and 2-(4-chlorophenyl)ethylamino at the N1 position of the pyrazolo[3,4-d]pyrimidine core helps to improve its affinity and selectivity for the A2A receptor. Compounds obtained by structural modification of pyrrolo[2,3-d]pyrimidine and 6-arylpurine have lower A2A affinity compared with A2A receptor antagonist 1. [1]
2. Human adenosine A2A receptor is a G protein-coupled receptor (GPCR) that is widely expressed in the central nervous system (CNS), immune system, and cardiovascular system; A2A receptor antagonists are being investigated for the treatment of Parkinson's disease, cancer immunotherapy, and inflammatory diseases; A2A receptor antagonist 1 is a lead compound in this class, with high selectivity, which can reduce the risk of off-target side effects associated with non-selective adenosine receptor antagonists. [1] |
| Molecular Formula |
C16H12FN5O
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| Molecular Weight |
309.30
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| Exact Mass |
309.1
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| Elemental Analysis |
C, 62.13; H, 3.91; F, 6.14; N, 22.64; O, 5.17
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| CAS # |
443103-97-7
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| Related CAS # |
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| PubChem CID |
9879687
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| Appearance |
Solid powder
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| LogP |
2.3
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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 |
414
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
JEEJMSUHUZNTCD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
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| Chemical Name |
1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
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| Synonyms |
A2A receptor antagonist 1; A2A-IN-1; A2A inhibitor 1
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| HS Tariff Code |
2934.99.03.00
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.08 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.08 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2331 mL | 16.1655 mL | 32.3311 mL | |
| 5 mM | 0.6466 mL | 3.2331 mL | 6.4662 mL | |
| 10 mM | 0.3233 mL | 1.6166 mL | 3.2331 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT05501054 | Recruiting | Drug: Ipilimumab Drug: Nivolumab |
Renal Cell Carcinoma | M.D. Anderson Cancer Center | February 9, 2023 | Phase 1 Phase 2 |
| NCT05217498 | Not yet recruiting | Drug: Istradefylline Device: low oxygen therapy |
Spinal Cord Injuries Myelopathy |
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