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| Targets |
Adenosine A1 receptor (A1R) is a G protein-coupled receptor that plays important roles in the regulation of the cardiovascular system, central nervous system, and other physiological processes. Adenosine receptor antagonist 4 inhibits the human A1 receptor with a Ki of 101 nM. By binding to the A1 receptor, the compound blocks the activation of the receptor by adenosine, thereby inhibiting A1 receptor-mediated signaling pathways.
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| ln Vitro |
In vitro, Adenosine receptor antagonist 4 inhibits the human A1 receptor with a Ki of 101 nM. It is a selective A1 receptor antagonist. In functional assays, the compound inhibits A1 receptor-mediated signaling, including the inhibition of cAMP accumulation and other downstream effects. The compound shows selectivity for the A1 receptor over other adenosine receptor subtypes.
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| ln Vivo |
In vivo, Adenosine receptor antagonist 4 is used to study the modulation of adenosine signaling in cardiovascular and central nervous system function. By blocking A1 receptor activation, the compound can be used to dissect the role of the A1 receptor in various physiological and pathological processes, including heart rate regulation, neuroprotection, and pain modulation.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assay for Adenosine receptor antagonist 4 involves radioligand binding assays using membrane preparations from cells expressing human A1 receptors. The binding affinity (Ki) of the compound is determined using competition binding assays with appropriate radioligands. The Ki value is calculated from competition curves using the Cheng-Prusoff equation.
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| Cell Assay |
In vitro cellular assays for Adenosine receptor antagonist 4 use functional assays measuring A1 receptor-mediated signaling (e.g., cAMP inhibition) in cells expressing the receptor. Cells expressing A1 receptors are treated with an A1 receptor agonist in the presence or absence of the compound, and cAMP levels are measured using ELISA or other detection methods. The antagonist activity of the compound is determined by its ability to reverse agonist-induced effects.
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| Animal Protocol |
In vivo studies using animal models of cardiovascular or neurological disorders are performed to evaluate the pharmacological effects of Adenosine receptor antagonist 4. Animal models of hypertension, cardiac arrhythmias, or neurological disorders are used to evaluate the effects of A1 receptor antagonism on these conditions.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Adenosine receptor antagonist 4 are limited. As a small molecule with a molecular weight of 175.23 g/mol, it is expected to have properties suitable for research applications. The compound has a molecular formula of C10H13N3. Further pharmacokinetic studies are needed to fully characterize the ADME properties of this compound.
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| Toxicity/Toxicokinetics |
Preclinical toxicology data for Adenosine receptor antagonist 4 are limited. The compound is used for research purposes only. No significant toxicities have been reported in the literature. Further toxicological evaluation is needed to assess the safety of the compound for potential therapeutic applications.
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| References | |
| Additional Infomation |
Adenosine receptor antagonist 4 (CAS: 133240-06-9) is a research compound used to study A1 adenosine receptor function and its role in cardiovascular and central nervous system regulation. The compound is also known as compound 2. Adenosine receptor antagonist 4 is not approved for human use and is intended for research purposes only. The compound is a valuable tool for investigating the physiological and pathological roles of the A1 adenosine receptor.
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| Molecular Formula |
C10H13N3
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| Molecular Weight |
175.23
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| Exact Mass |
175.111
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| CAS # |
133240-06-9
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| PubChem CID |
9815374
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| Appearance |
Off-white to yellow solid
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| Density |
1.14g/cm3
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| Boiling Point |
370.502ºC at 760 mmHg
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| Melting Point |
142-146 °C
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| Flash Point |
174.175ºC
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| Vapour Pressure |
0mmHg at 25°C
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| Index of Refraction |
1.619
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| LogP |
2.137
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
13
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| Complexity |
183
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC1=NC2=NC(=CC(=C2N1)C)C
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| InChi Key |
XWWJWZJOSWSJQV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H13N3/c1-4-8-12-9-6(2)5-7(3)11-10(9)13-8/h5H,4H2,1-3H3,(H,11,12,13)
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| Chemical Name |
2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine
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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: ~50 mg/mL (~285.3 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (28.53 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (28.53 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (28.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7068 mL | 28.5339 mL | 57.0679 mL | |
| 5 mM | 1.1414 mL | 5.7068 mL | 11.4136 mL | |
| 10 mM | 0.5707 mL | 2.8534 mL | 5.7068 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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