| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
MSX-3 targets the adenosine A₂A receptor as a prodrug of the potent antagonist MSX-2. Upon administration, MSX-3 is rapidly converted to MSX-2, which selectively blocks A₂A adenosine receptors. By antagonizing A₂A receptors, MSX-3 modulates dopaminergic signaling and has been shown to reverse the effects of haloperidol. Its mechanism makes it a valuable tool for studying adenosine-dopamine interactions in the brain and for developing treatments for neurodegenerative disorders.
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| ln Vitro |
In vitro, MSX-3 is a prodrug of MSX-2 and a potent antagonist of the adenosine A₂A receptor. It can reverse the effects of the dopamine antagonist haloperidol. In cell-based assays, MSX-3 (or its active metabolite MSX-2) treatment results in inhibition of A₂A receptor-mediated signaling, such as cAMP accumulation. The compound's effects on adenosine-dopamine interactions are assessed using receptor binding and functional assays. These studies confirm the compound's mechanism as a prodrug of a potent A₂A receptor antagonist.
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| ln Vivo |
In vivo, MSX-3 has shown promising results in preclinical studies as a potential treatment for neurodegenerative disorders and addictive behaviors. As a water-soluble phosphate ester prodrug, it is designed for parenteral administration and is rapidly converted to the active A₂A receptor antagonist MSX-2. MSX-3 can reverse the effects of haloperidol in animal models. Its ability to modulate adenosine-dopamine interactions suggests potential therapeutic applications in Parkinson's disease, schizophrenia, and addiction. Comprehensive in vivo studies are ongoing.
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| Enzyme Assay |
In vitro receptor binding assays for MSX-3 involve measuring its binding affinity to the adenosine A₂A receptor. The receptor is incubated with a radiolabeled ligand and varying concentrations of MSX-3 or its active metabolite MSX-2. The displacement of the radiolabeled ligand is measured, and the IC₅₀ or Ki value is calculated. These assays confirm the compound's mechanism as an A₂A receptor antagonist.
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| Cell Assay |
In vitro cell-based assays for MSX-3 evaluate its effects on A₂A receptor signaling. Cells expressing A₂A receptors are cultured and treated with MSX-3, and receptor-mediated signaling is assessed by measuring cAMP accumulation or downstream pathways. The compound's ability to reverse haloperidol-induced effects is assessed in relevant cell models. These assays confirm the compound's functional activity as an A₂A receptor antagonist.
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| Animal Protocol |
In vivo animal experiments for MSX-3 have been conducted in models of Parkinson's disease, schizophrenia, and addiction. Animals are treated with MSX-3, and behavioral, biochemical, and neurochemical endpoints are assessed. The compound's ability to reverse haloperidol-induced catalepsy or other effects has been demonstrated. Pharmacokinetic studies are conducted to determine the compound's conversion to MSX-2 and its half-life, clearance, and tissue distribution. Comprehensive in vivo studies are ongoing.
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| ADME/Pharmacokinetics |
MSX-3 is a water-soluble phosphate ester prodrug that is rapidly converted in vivo to the active A₂A adenosine receptor antagonist MSX-2. It has a molecular weight of 518.37 g/mol. The compound's half-life, bioavailability, and excretion profile have been characterized in preclinical studies. MSX-3 is a research compound and has not received regulatory approval.
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| Toxicity/Toxicokinetics |
The toxicity profile of MSX-3 has not been extensively characterized. As a research compound, it should be handled with appropriate safety precautions. The compound is for research use only and is not intended for human or veterinary use. Comprehensive toxicological studies are needed to fully characterize the safety profile of MSX-3.
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| Additional Infomation |
MSX-3 is a water-soluble prodrug of the A₂A adenosine receptor antagonist MSX-2. It is a potent antagonist of the adenosine A₂A receptor. MSX-3 can reverse the effects of haloperidol. It has shown promising results in preclinical studies for neurodegenerative disorders and addictive behaviors. MSX-3 has a molecular formula of C₂₁H₂₁N₄Na₂O₇P. It is a research tool and has not progressed to clinical trials.
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| Molecular Formula |
C21H21N4O7P-2.2[NA].H2O
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| Molecular Weight |
536.383
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| Exact Mass |
536.105
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| CAS # |
261717-23-1
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| PubChem CID |
10256041
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.02
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
35
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| Complexity |
841
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C#CCN1=C(=O)C2N(C(/C=C/C3=CC(OC)=CC=C3)=NC=2N(CCCOP([O-])([O-])=O)=C1=O)C.[NaH].[NaH].O
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| InChi Key |
ZYVZWCILYQDHNU-TTWKNDKESA-L
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| InChi Code |
InChI=1S/C21H23N4O7P.2Na/c1-4-11-25-20(26)18-19(24(21(25)27)12-6-13-32-33(28,29)30)22-17(23(18)2)10-9-15-7-5-8-16(14-15)31-3;;/h1,5,7-10,14H,6,11-13H2,2-3H3,(H2,28,29,30);;/q;2*+1/p-2/b10-9+;;
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| Chemical Name |
disodium;3-[8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-2,6-dioxo-1-prop-2-ynylpurin-3-yl]propyl phosphate
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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 | 1.8643 mL | 9.3217 mL | 18.6435 mL | |
| 5 mM | 0.3729 mL | 1.8643 mL | 3.7287 mL | |
| 10 mM | 0.1864 mL | 0.9322 mL | 1.8643 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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