Agomelatine-d3
Based on 1 Customer Validation
Agomelatine-d3 is the deuterium labeled Agomelatine. Agomelatine (S-20098) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively. Agomelatine is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively.
For research use only. We do not sell to patients.
- Purity: 98.0%
- CAS No.: 1079389-38-0
- Formula: C15H14D3NO2
- Molecular Weight:246.32
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
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MT2 |
MT1 |
5-HT2C Receptor |
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 1079389-38-0
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Unlabeled Cas 138112-76-2
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Appearance Solid
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Molecular Weight 246.32
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Formula C15H14D3NO2
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Color White to off-white
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SMILES
[2H]C([2H])([2H])C(NCCC1=CC=CC2=C1C=C(OC)C=C2)=O
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Synonyms
S-20098-d3
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : ≥ 100 mg/mL (405.98 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Working solution concentration: 0.22 mg/mL
Purity & Documentation
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Data Sheet (275 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
[2]. Audinot V, et al. New selective ligands of human cloned melatonin MT1 and MT2 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2003 Jun;367(6):553-61. [Content Brief]
[3]. Millan MJ, et al. The novel melatonin agonist agomelatine (S20098) is an antagonist at 5-hydroxytryptamine2C receptors, blockade of which enhances the activity of frontocortical dopaminergic and adrenergic pathways. J Pharmacol Exp Ther. 2003 Sep;306(3):954-64. [Content Brief]
[4]. Aguiar CC, et al. Effects of agomelatine on oxidative stress in the brain of mice after chemically induced seizures. Cell Mol Neurobiol. 2013 Aug;33(6):825-35. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 4.0598 mL | 20.2988 mL | 40.5976 mL | 101.4940 mL |
| 5 mM | 0.8120 mL | 4.0598 mL | 8.1195 mL | 20.2988 mL | |
| 10 mM | 0.4060 mL | 2.0299 mL | 4.0598 mL | 10.1494 mL | |
| 15 mM | 0.2707 mL | 1.3533 mL | 2.7065 mL | 6.7663 mL | |
| 20 mM | 0.2030 mL | 1.0149 mL | 2.0299 mL | 5.0747 mL | |
| 25 mM | 0.1624 mL | 0.8120 mL | 1.6239 mL | 4.0598 mL | |
| 30 mM | 0.1353 mL | 0.6766 mL | 1.3533 mL | 3.3831 mL | |
| 40 mM | 0.1015 mL | 0.5075 mL | 1.0149 mL | 2.5373 mL | |
| 50 mM | 0.0812 mL | 0.4060 mL | 0.8120 mL | 2.0299 mL | |
| 60 mM | 0.0677 mL | 0.3383 mL | 0.6766 mL | 1.6916 mL | |
| 80 mM | 0.0507 mL | 0.2537 mL | 0.5075 mL | 1.2687 mL | |
| 100 mM | 0.0406 mL | 0.2030 mL | 0.4060 mL | 1.0149 mL |
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