| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
The primary targets of A2AR-agonist-1 are the adenosine A2A receptor (A2AR) and equilibrative nucleoside transporter 1 (ENT1). It has Ki values of 4.39 for A2AR and 3.47 for ENT1. By activating A2AR, the compound modulates immune checkpoint pathways and T-cell function. Its dual action on A2AR and ENT1 makes it a valuable tool for studying adenosine signaling and neuroprotection. The compound is used in immunology research to study inflammatory signaling pathways.
|
|---|---|
| ln Vitro |
A2AR-agonist-1 demonstrates potent agonist activity at A2AR and ENT1 in vitro. It has Ki values of 4.39 for A2AR and 3.47 for ENT1. The compound is used in pharmacological research to study immune checkpoint modulation and T-cell function. Its effects on adenosine signaling pathways have been characterized in various cell-based assays. A2AR-agonist-1 is a valuable tool for studying neuroprotection and inflammatory signaling.
|
| ln Vivo |
A2AR-agonist-1 has been studied in vivo for its neuroprotective effects. As an A2AR agonist, it modulates immune checkpoint pathways and T-cell function. The compound’s dual action on A2AR and ENT1 suggests potential for treating neurological and inflammatory conditions. Further in vivo studies are ongoing to fully characterize its pharmacokinetic and pharmacodynamic properties. The compound is typically administered orally or via injection in preclinical studies.
|
| Enzyme Assay |
A2AR-agonist-1’s in vitro receptor binding assays involve measuring affinity for A2AR and ENT1. Radioligand binding displacement studies are performed using membranes from cells expressing recombinant A2AR or ENT1. The compound’s Ki values of 4.39 for A2AR and 3.47 for ENT1 are determined through these assays. Functional agonist activity is assessed by measuring cAMP accumulation (for A2AR) or nucleoside uptake (for ENT1). Assays are performed in appropriate buffer systems with positive controls (e.g., known A2AR agonists).
|
| Cell Assay |
A2AR-agonist-1’s in vitro cell-based assays are conducted in cells expressing A2AR or ENT1. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. A2AR activation is assessed by measuring cAMP levels. ENT1 inhibition is assessed by measuring nucleoside uptake. Cell viability is assessed by standard assays. T-cell function assays may be performed to assess immune modulation. Experiments are performed in triplicate with appropriate controls.
|
| Animal Protocol |
A2AR-agonist-1’s in vivo animal studies are conducted in rodent models of neurological and inflammatory disorders. Animals are treated with the compound via oral administration or injection. For neuroprotection studies, models of neurodegeneration or ischemic injury may be used. For immunomodulation studies, models of inflammation or immune challenge are employed. Dosing regimens are optimized based on pharmacokinetic data. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biomarker analysis.
|
| ADME/Pharmacokinetics |
A2AR-agonist-1 (MW 410.43 g/mol, C20H22N6O4) is a small molecule with favorable drug-like properties. The compound is a potent A2AR and ENT1 agonist. It is soluble in DMSO. The compound is metabolized by hepatic enzymes. Following administration, it is distributed to tissues including brain, as evidenced by its neuroprotective effects. Pharmacokinetic parameters such as Cmax, Tmax, and half-life would be determined in species-specific studies. The compound shows stability under recommended storage conditions.
|
| Toxicity/Toxicokinetics |
A2AR-agonist-1 is generally well-tolerated in preclinical studies. The compound is a research tool for studying adenosine signaling and neuroprotection. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
|
| Additional Infomation |
A2AR-agonist-1 is a potent agonist of the adenosine A2A receptor (A2AR) and equilibrative nucleoside transporter 1 (ENT1), with Ki values of 4.39 and 3.47, respectively. It is a novel dual-action compound targeting adenosine signaling for neuroprotection. The compound is used in pharmacological and immunology research to study immune checkpoint modulation, T-cell function, and inflammatory signaling pathways. Its dual action on A2AR and ENT1 makes it a valuable research tool. All applications are limited to non-human research use.
|
| Molecular Formula |
C20H22N6O4
|
|---|---|
| Molecular Weight |
410.426483631134
|
| Exact Mass |
410.17
|
| CAS # |
41552-95-8
|
| PubChem CID |
219015
|
| Appearance |
White to off-white solid powder
|
| LogP |
0.646
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
30
|
| Complexity |
588
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3NCCC4=CNC5=C4C=CC=C5)O1)O)O
|
| InChi Key |
QGCNEMXXKWZPHR-WVSUBDOOSA-N
|
| InChi Code |
InChI=1S/C20H22N6O4/c27-8-14-16(28)17(29)20(30-14)26-10-25-15-18(23-9-24-19(15)26)21-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,27-29H,5-6,8H2,(H,21,23,24)/t14-,16-,17-,20-/m1/s1
|
| Chemical Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~243.65 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.09 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 (6.09 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 (6.09 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 | 2.4365 mL | 12.1823 mL | 24.3647 mL | |
| 5 mM | 0.4873 mL | 2.4365 mL | 4.8729 mL | |
| 10 mM | 0.2436 mL | 1.2182 mL | 2.4365 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
