| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Mesdopetam hemitartrate primarily targets the dopamine D3 receptor (D3R), acting as an antagonist. It has a Ki of 90 nM and an IC50 of 9.8 μM for the human recombinant D3 receptor. It also shows sub-micromolar affinities at dopamine D2 and σ1 receptors, and micromolar affinities at 5-HT1a, 5-HT2a, and 5-HT7 receptors. It does not show any agonist-like properties at these receptors.
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| ln Vitro |
In cell-free receptor binding assays, Mesdopetam hemitartrate demonstrates high-affinity binding to the dopamine D3 receptor with a Ki of 90 nM. Its activity as an antagonist is confirmed by its ability to block D3 receptor-mediated signaling. The compound also shows affinity for other receptors, including D2, σ1, and several serotonin receptor subtypes. Cellular functional assays confirm that Mesdopetam hemitartrate acts as an antagonist at the dopamine D3 receptor. It inhibits D3 receptor-mediated signaling pathways, with an IC50 of 9.8 μM for the human recombinant D3 receptor. The compound does not show any agonist-like properties at D2, D3, 5-HT2, or 5-HT7 receptors.
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| ln Vivo |
Mesdopetam (IRL790) hemitartrate (3.7, 11, 33, or 100 µmol/kg; sc) reduces behavioral activation after D-amphetamine or MK-80 administration in a dose-dependent manner[1].
In vivo, Mesdopetam hemitartrate has psychomotor stabilizing properties. It is being investigated for its potential to treat motor and psychiatric complications in Parkinson's disease. Its unique receptor profile, including D3 antagonism and activity at other receptors, contributes to its therapeutic potential. |
| Enzyme Assay |
Cell-free receptor binding assays for Mesdopetam hemitartrate are performed using membrane preparations from cells expressing recombinant human dopamine D3 receptors. Radioligand displacement studies use [³H]spiperone or other D3-selective ligands. Ki values are calculated from competition binding curves.
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| Cell Assay |
Cellular functional assays for Mesdopetam hemitartrate are conducted using cells expressing the human dopamine D3 receptor. The compound's antagonist activity is assessed by its ability to inhibit D3 receptor-mediated signaling, such as the inhibition of cAMP production. IC50 values are determined from concentration-response curves.
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| Animal Protocol |
Animal/Disease Models: Male SD (Sprague-Dawley) rats[1]
Doses: 3.7, 11, 33, or 100 µmol/kg (synthesized in-house as HCl salt, was dissolved in physiologic saline (0.9% w/v NaCl) Route of Administration: sc was administered subcutaneously (sc) 4 min before the start of recording Experimental Results: Dose-dependently inhibited the behavioral activation following pretreatment with D-amphetamine or MK-801. In vivo studies on Mesdopetam hemitartrate are conducted in animal models of Parkinson's disease. The compound's effects on motor function and psychiatric symptoms are assessed. Its psychomotor stabilizing properties have been demonstrated in these models. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Mesdopetam hemitartrate are consistent with an orally active compound. It is able to cross the blood-brain barrier to reach its targets in the central nervous system. Detailed PK parameters are available in the clinical and preclinical literature.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for Mesdopetam hemitartrate are not extensively detailed in the available literature. As a clinical candidate, its safety profile would have been evaluated in toxicological studies. The compound is intended for the treatment of Parkinson's disease complications.
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| References |
[1]. Waters S, et al. Preclinical Pharmacology of [2-(3-Fluoro-5-Methanesulfonyl-phenoxy)Ethyl](Propyl)amine (IRL790), a Novel Dopamine Transmission Modulator for the Treatment of Motor and Psychiatric Complications in Parkinson Disease. J Pharmacol Exp Ther.
[2]. Becanovic K, et al. Effects of a Novel Psychomotor Stabilizer, IRL790, on Biochemical Measures of Synaptic Markers and Neurotransmission. J Pharmacol Exp Ther. 2020;374(1):126-133. |
| Additional Infomation |
Mesdopetam hemitartrate is a clinical-stage compound for the treatment of motor and psychiatric complications of Parkinson's disease. Its unique mechanism of action as a D3 receptor antagonist with psychomotor stabilizing properties distinguishes it from other dopaminergic agents. It is not yet approved for clinical use.
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| Molecular Formula |
C28H42F2N2O12S2
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|---|---|
| Molecular Weight |
700.77
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| Exact Mass |
700.214
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| CAS # |
2562346-14-7
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| Related CAS # |
Mesdopetam;1403894-72-3
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| PubChem CID |
163285745
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
17
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| Heavy Atom Count |
46
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| Complexity |
463
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F.CCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
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| InChi Key |
OEGCTXJJFKXVFI-CEAXSRTFSA-N
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| InChi Code |
InChI=1S/2C12H18FNO3S.C4H6O6/c2*1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16;5-1(3(7)8)2(6)4(9)10/h2*7-9,14H,3-6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
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| Chemical Name |
(2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O: 100 mg/mL (142.70 mM)
DMSO: 20.83 mg/mL (29.72 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.97 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 20.8 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: ≥ 2.08 mg/mL (2.97 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 20.8 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: ≥ 2.08 mg/mL (2.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 16.67 mg/mL (23.79 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4270 mL | 7.1350 mL | 14.2700 mL | |
| 5 mM | 0.2854 mL | 1.4270 mL | 2.8540 mL | |
| 10 mM | 0.1427 mL | 0.7135 mL | 1.4270 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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