Agomelatine
- CAS No.
- 138112-76-2
- Chemical Name:
- Agomelatine
- Synonyms
- AGOMELATIN;Valdoxan;GOMELATINE;VALDOXAN; MELITOR; THYMANAX;omeL;atine;AgomeL;S 20098;Melitor;CS-1963
- CBNumber:
- CB8500647
- Molecular Formula:
- C15H17NO2
- Molecular Weight:
- 243.3
- MOL File:
- 138112-76-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/7/25 20:04:51
| Melting point | 107-109°C |
|---|---|
| Boiling point | 478.8±28.0 °C(Predicted) |
| Density | 1.109±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: >50mg/mL |
| pka | 16.17±0.46(Predicted) |
| form | powder |
| color | white to off-white |
| Merck | 14,190 |
| InChI | InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) |
| InChIKey | YJYPHIXNFHFHND-UHFFFAOYSA-N |
| SMILES | C(NCCC1=C2C(C=CC(OC)=C2)=CC=C1)(=O)C |
| CAS DataBase Reference | 138112-76-2(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H400 | |||||||||
| Precautionary statements | P273 | |||||||||
| Hazard Codes | N | |||||||||
| Risk Statements | 50 | |||||||||
| Safety Statements | 61 | |||||||||
| RIDADR | UN 3077 9 / PGIII | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | AC5956323 | |||||||||
| HS Code | 29241990 | |||||||||
| Toxicity | mouse,LD50,oral,> 1gm/kg (1000mg/kg),United States Patent Document. Vol. #5318994, | |||||||||
| NFPA 704 |
|
Agomelatine price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | A1362 | Agomelatine ≥98% (HPLC) | 138112-76-2 | 5MG | ₹8508.45 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | A1362 | Agomelatine ≥98% (HPLC) | 138112-76-2 | 25MG | ₹34120.4 | 2022-06-14 | Buy |
| TCI Chemicals (India) | A2606 | Agomelatine | 138112-76-2 | 1G | ₹9400 | 2022-05-26 | Buy |
Agomelatine Chemical Properties,Uses,Production
Description
Agomelatine is an agonist of melatonin (MT) receptors and a derivative of melatonin . It binds to MT1 and MT2 receptors (Kis = 0.14 and 0.41 nM, respectively) and has an EC50 value of 0.1 nM in a [35S]GTPγS binding assay using CHO cells expressing MT2 receptors. Agomelatine is also an antagonist of the serotonin (5-HT) receptor subtypes 5-HT2B and 5-HT2C (Kis = 0.26 and 0.71 nM, respectively, for the human receptors). Agomelatine (40 mg/kg) inhibits the penile erection response induced by the 5-HT2 agonist Ro 60-0175 in rats. It also increases extracellular levels of noradrenaline and dopamine in the frontal cortex of freely moving rats when administered at doses ranging from 20 to 80 mg/kg. Agomelatine (10 mg/kg) reduces immobility time in the forced swim test and increases the amount of time spent in the open arms of the elevated plus maze in mice, indicating antidepressant-like and anxiolytic-like activity, in a transgenic neuroendocrine model of depression. It also increases the rate of readjustment to circadian activity cycles following an induced phase shift.
Chemical Properties
White Solid
Uses
Agomelatine is a melatoninergic agonist and selective antagonist of 5-HT2C receptors, and has been shown to be active in several animal models of depression. Agomelatine (S20098) displayed pKi values of 6.4 and 6.2 at native (porcine) and cloned, human (h)5-hydroxytryptamine (5-HT)2C receptors, respectively.
Agomelatine Preparation Products And Raw materials
Raw materials
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