| Size | Price | |
|---|---|---|
| 5mg | ||
| 10mg | ||
| Other Sizes |
| Targets |
Ki: 0.44 nM (hA3AR)[2]
Human adenosine A3 receptor (hA3AR). |
|---|---|
| ln Vitro |
With regard to A3AR, PSB-10 hydrochloride displays a subnanomolar Ki value (Ki=0.43 nM vs [3H]NECA). R-8 also exhibits significant selectivity (>800-fold) in comparison to the other AR subtypes[1].
PSB-10 hydrochloride binds to hA3AR with a Ki value of 0.44 nM. It displays exceptionally high selectivity, with >800-fold lower affinity for other adenosine receptor subtypes (rA1, rA2A, hA1, hA2A, hA2B with Ki values of 805, 6040, 1700, 2700, 30000 nM, respectively). |
| ln Vivo |
Mice's hot-plate reaction latencies are dose-dependently lowered by PSB-10 hydrochloride (50–100 mg/kg; ip)[2].
|
| Enzyme Assay |
A radioligand binding assay is used to determine affinity. HEK293 cell membranes expressing the human A3 receptor are incubated with 3H-labeled NECA or a similar radioligand in the presence of varying concentrations of PSB-10 hydrochloride (e.g., 0.001 nM-10 microM). Non-specific binding is determined with a reference antagonist (e.g., IB-MECA). The Ki is calculated by competitive binding analysis.
|
| Cell Assay |
Human A3 receptor-expressing cells are loaded with a calcium-sensitive dye. After baseline measurement, increasing concentrations of a reference agonist (e.g., Cl-IB-MECA) are added to induce a calcium flux. PSB-10 hydrochloride is pre-incubated to measure its ability to antagonize this agonist-induced signal. The IC50 for antagonist activity is determined.
|
| Animal Protocol |
In a typical protocol, PSB-10 hydrochloride is administered intraperitoneally (e.g., 0.1-1 mg/kg) to mice. It has been shown to produce thermal hyperalgesia (increased sensitivity to painful stimuli) in mice, confirming its in vivo target engagement and functional antagonism of the A3 receptor in a pain pathway.
|
| ADME/Pharmacokinetics |
As a small molecule, PSB-10 hydrochloride is suitable for in vivo administration. Its absorption, distribution, metabolism, and excretion (ADME) properties are typical of a synthetic antagonist. It has been shown to cross the blood-brain barrier based on its CNS activity (hyperalgesia).
|
| Toxicity/Toxicokinetics |
In animal studies, PSB-10 hydrochloride is generally well-tolerated at pharmacologically active doses. At high doses, the primary observed effect is the on-target effect (hyperalgesia). No specific off-target toxicities have been widely reported for this tool compound.
|
| References |
[1]. Ozola V, et, al. 2-Phenylimidazo[2,1-i]purin-5-ones: structure-activity relationships and characterization of potent and selective inverse agonists at Human A3 adenosine receptors. Bioorg Med Chem. 2003 Feb 6;11(3):347-56.
[2]. Abo-Salem OM, et, al. Antinociceptive effects of novel A2B adenosine receptor antagonists. J Pharmacol Exp Ther. 2004 Jan;308(1):358-66. |
| Additional Infomation |
This compound is primarily a research tool for studying the A3 adenosine receptor. It has not been developed as a clinical drug candidate. It is useful for differentiating the physiological roles of A1, A2A, A2B, and A3 receptors due to its high selectivity for the human A3 subtype.
|
| Molecular Formula |
C16H15CL4N5O
|
|---|---|
| Molecular Weight |
435.14
|
| Exact Mass |
433.003
|
| CAS # |
591771-91-4
|
| PubChem CID |
136645903
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.62
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
26
|
| Complexity |
706
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CCC1CN2=C(N(C)C3NC(C4=C(Cl)C(Cl)=CC(Cl)=C4)=NC=3C2=N1)=O.Cl
|
| InChi Key |
IEBFUVHYQGOQSS-DDWIOCJRSA-N
|
| InChi Code |
InChI=1S/C16H14Cl3N5O.ClH/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19;/h4-5,8,20H,3,6H2,1-2H3;1H/t8-;/m1./s1
|
| Chemical Name |
(8R)-8-ethyl-4-methyl-2-(2,3,5-trichlorophenyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride
|
| 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) |
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
|
|---|---|
| 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 | 2.2981 mL | 11.4906 mL | 22.9811 mL | |
| 5 mM | 0.4596 mL | 2.2981 mL | 4.5962 mL | |
| 10 mM | 0.2298 mL | 1.1491 mL | 2.2981 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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