| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Targets |
A2AAR/hMAO-B-IN-1 has two primary targets: (1) the adenosine A2A receptor (A2AAR), a G protein-coupled receptor (GPCR) expressed in the basal ganglia that regulates motor function and dopamine signaling. A2AAR antagonists have symptomatic benefits in Parkinson's disease by modulating indirect pathway signaling. (2) Human monoamine oxidase B (hMAO-B), a mitochondrial enzyme that degrades dopamine and other monoamine neurotransmitters. MAO-B inhibitors are neuroprotective and increase dopamine availability in the brain. Dual-target inhibitors aim to provide both symptomatic relief and disease-modifying effects.
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| ln Vitro |
No specific in vitro activity data for A2AAR/hMAO-B-IN-1 is provided. As a dual-target inhibitor, it is expected to exhibit both A2AAR antagonism (reducing cAMP accumulation downstream of A2AAR activation) and MAO-B inhibition (reducing the deamination of dopamine to DOPAC and preventing the production of reactive oxygen species). The compound is categorized as a dual inhibitor of A2AAR and hMAO-B, and it is likely in the discovery or optimization phase. Detailed IC50 values for each target are not available in the summarized literature.
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| ln Vivo |
No specific in vivo data for A2AAR/hMAO-B-IN-1 is provided. As a dual-target inhibitor for Parkinson's disease research, it would be expected to have in vivo efficacy in animal models of PD such as the MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine)-treated mouse model, the 6-OHDA-lesioned rat model, or genetic models of PD. Potential endpoints include improvement in motor function (rotarod, open field, pole test), preservation of tyrosine hydroxylase-positive neurons in the substantia nigra, reduction of glial activation, and measurement of dopamine and its metabolites in striatal tissue. No specific data is reported.
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| Enzyme Assay |
Standard A2AAR binding assay: Membrane preparations from cells expressing human A2AAR (e.g., HEK293-A2A cells) are incubated with 1-5 nM [3H]-CGS21680 or [3H]-ZM241385 and varying concentrations of the test compound (0.01-10,000 nM) in 50 mM Tris-HCl buffer (pH 7.4) containing 10 mM MgCl2 at 25degC for 60 minutes. Nonspecific binding is determined using 10 uM theophylline or ZM241385. Bound radioactivity is separated by filtration through GF/B filters and counted. Ki values are calculated. Standard MAO-B inhibition assay: Recombinant human MAO-B (0.1-0.5 U) is incubated in 0.1 M potassium phosphate buffer (pH 7.4) with varying concentrations of the test compound (0.01-10,000 nM) and 50-100 uM kynuramine (substrate) or benzylamine at 37degC for 30 minutes. The reaction is stopped, and the product (4-hydroxyquinoline) is measured by fluorescence (Ex 310 nm/Em 400 nm) or absorbance. IC50 values are calculated.
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| Cell Assay |
Not applicable for direct testing of the compound in cell-based assays. For A2AAR activity: Cells expressing A2AAR are seeded in 96-well plates, treated with varying concentrations of A2AAR/hMAO-B-IN-1, and then stimulated with an A2AAR agonist (e.g., CGS21680, 100 nM). Intracellular cAMP levels are measured by HTRF or ELISA, and the IC50 for inhibition of agonist-stimulated cAMP accumulation is calculated. For MAO-B activity in cells: Cells endogenously expressing MAO-B (e.g., SH-SY5Y neuroblastoma cells) are treated with varying concentrations of the compound for 24-48 hours. MAO-B activity is measured in cell lysates using a fluorogenic MAO-B substrate (e.g., 10-100 uM kynuramine or an Amplex Red MAO-B assay kit). No specific protocols are provided.
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| Animal Protocol |
No specific animal protocol is provided. A standard protocol for evaluating dual A2AAR/MAO-B inhibitors in a PD model: 8-10 week old male C57BL/6 mice are treated with MPTP (30 mg/kg, IP, once daily for 5 days) to induce dopaminergic neurodegeneration. A2AAR/hMAO-B-IN-1 is administered orally or intraperitoneally (e.g., 5-30 mg/kg) once daily starting before or concomitant with MPTP and continuing for 7-21 days. Motor function is assessed by rotarod, open field, and pole test. After sacrifice, striatal tissue is analyzed for dopamine and DOPAC by HPLC. Tyrosine hydroxylase-positive neurons in the substantia nigra are quantified by immunohistochemistry. MAO-B activity in brain homogenates is measured fluorometrically. No specific data is reported.
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| ADME/Pharmacokinetics |
No specific PK data is available. For a dual-target inhibitor to be effective in Parkinson's disease, it would need to cross the blood-brain barrier and achieve sufficient brain concentrations to inhibit both A2AAR and MAO-B. The compound would need good oral bioavailability and a half-life suitable for once or twice daily dosing. MAO-B inhibitors typically have long durations of action due to irreversible inhibition. No PK parameters are provided.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available. Dual-target inhibitors of A2AAR and MAO-B have not been clinically approved; their safety profile is not established. MAO-B inhibitors (e.g., selegiline, rasagiline) are generally well-tolerated but may cause nausea, insomnia, and at high doses, tyramine-induced hypertensive crisis. A2AAR antagonists (e.g., istradefylline) are generally well-tolerated but may cause dyskinesia, dizziness, and nausea. The compound is for research use only, not for human consumption.
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| References | |
| Additional Infomation |
This compound is a dual-target inhibitor designed for research on neurodegenerative diseases, particularly Parkinson's disease, where both adenosine A2A receptor antagonism and monoamine oxidase B inhibition have demonstrated therapeutic benefits. It is a research tool for investigating the potential synergy of dual-target modulation. For research use only, not for human therapeutic applications.
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| Molecular Formula |
C18H16N2O2S
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| Molecular Weight |
324.40
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| CAS # |
1439488-21-7
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.653
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| LogP |
3.45
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| SMILES |
C1(CCCC(NC2SC(=O)C3=CC=CC=C3N=2)=O)=CC=CC=C1
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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) |
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
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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 | 3.0826 mL | 15.4131 mL | 30.8261 mL | |
| 5 mM | 0.6165 mL | 3.0826 mL | 6.1652 mL | |
| 10 mM | 0.3083 mL | 1.5413 mL | 3.0826 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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