CAS Number138112-76-2
SynonymsUnii-137R1N49ad; N-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide; Aglomelatine; Agomelatine; N-[2-(7-Methoxy-1-naphthalenyl)ethyl]-acetamide S-20098; AGOMELATIN; Valdoxan; N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetamide; N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide; Melitor; Thymanax
Molecular FormulaC15H17NO2
Molecular Weight243.30
Purity≥98 (HPLC)%
Density1.1±0.1 g/cm3
Boiling Point478.8±28.0 °C at 760 mmHg
Melting Point107-109ºC
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 138112-76-2 |
| Catalog No. | 2A-9090970 |
| Chinese Name | 阿戈美拉汀 |
| Synonyms | Unii-137R1N49ad; N-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide; Aglomelatine; Agomelatine; N-[2-(7-Methoxy-1-naphthalenyl)ethyl]-acetamide S-20098; AGOMELATIN; Valdoxan; N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetamide; N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide; Melitor; Thymanax |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.30 |
| Purity | ≥98 (HPLC) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 478.8±28.0 °C at 760 mmHg |
| Melting Point | 107-109ºC |
| Appearance | powder |
| Storage Condition | -20°C Freezer |
| Application | Agomelatine is a competitive antagonist of human and porcine 5-HT2C receptors, with pKi of 6.2 and 6.4 respectively. |
| HTC | 2924199090 |
| PubChem ID | 329770704 |
| MDL Number | MFCD00916659 |
| SMILES | COc1ccc2cccc(CCNC(C)=O)c2c1 |
| 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) |
| InChI Key | YJYPHIXNFHFHND-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/90970_1_138112_76_2.pdf |
| Bioactivity | Agomelatine is a competitive antagonist of human and porcine serotonin (5-HT2C) receptors (pKi = 6.2 and 6.4, respectively) as well as human 5-HT2B receptors (pKi = 6.6). IC50 value: 6.2 (pKi, 5-HT2c); 6.6 (pKi, 5-HT2b)Target: 5-HT2C Receptor; 5-HT2B receptorIt is classified as a norepinephrine-dopamine disinhibitor (NDDI) due to its antagonism of the 5-HT2C receptor. Activation of 5-HT2C receptors by serotonin inhibits dopamine and norepinephrine release. Antagonism of 5-HT2C results in an enhancement of DA and NE release and activity of frontocortical dopaminergic and adrenergic pathways. Agomelatine is also a potent agonist at melatonin receptors which makes it the first melatonergic antidepressant. Agomelatine is an antidepressant drug. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Pan L, Kardono LB, Riswan S, Chai H, Carcache de Blanco EJ, Pannell CM, Soejarto DD, McCloud TG, Newman DJ, Kinghorn AD.Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata.J Nat Prod. 2010 Nov 29;73(11):1873-8. [2]. Zajecka J, Schatzberg A, Stahl S. et al. Efficacy and safety of agomelatine in the treatment of major depressive disorder: a multicenter, randomized, double-blind, placebo-controlled trial. J Clin Psychopharmacol. 2010 Apr;30(2):135-44. [3]. Randy A Sansone, Lori A Sansone. Agomelatine A Novel Antidepressant. Innov Clin Neurosci. 2011 November; 8(11): 10-14. [4]. Michele Fornaro, Davide Prestia, Salvatore Colicchio, and Giulio Perugi. A Systematic, Updated Review on the Antidepressant Agomelatine Focusing on its Melatonergic Modulation. Curr Neuropharmacol. 2010 September; 8(3): 287-304. [5]. Agomelatine Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 478.8±28.0 °C at 760 mmHg Melting Point 107-109ºC Molecular Formula C15H17NO2 Molecular Weight 243.301 Flash Point 243.4±24.0 °C Exact Mass 243.125931 PSA 38.33000 LogP 2.27 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.582 InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Storage condition -20°C Freezer |
| Use of | Properties Articles48 Name Agomelatine Synonym More Synonyms Agomelatine Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Pan L, Kardono LB, Riswan S, Chai H, Carcache de Blanco EJ, Pannell CM, Soejarto DD, McCloud TG, Newman DJ, Kinghorn AD.Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata.J Nat Prod. 2010 Nov 29;73(11):1873-8. [2]. Zajecka J, Schatzberg A, Stahl S. et al. Efficacy and safety of agomelatine in the treatment of major depressive disorder: a multicenter, randomized, double-blind, placebo-controlled trial. J Clin Psychopharmacol. 2010 Apr;30(2):135-44. [3]. Randy A Sansone, Lori A Sansone. Agomelatine A Novel Antidepressant. Innov Clin Neurosci. 2011 November; 8(11): 10-14. [4]. Michele Fornaro, Davide Prestia, Salvatore Colicchio, and Giulio Perugi. A Systematic, Updated Review on the Antidepressant Agomelatine Focusing on its Melatonergic Modulation. Curr Neuropharmacol. 2010 September; 8(3): 287-304. [5]. Agomelatine Chemical & Physical Properties Molecular Formula C15H17NO2 Exact Mass 243.125931 PSA 38.33000 Index of Refraction 1.582 InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (N-[2-(7-Methoxy-1- naphthalenyl)ethyl]-acetamide) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (N-[2-(7-Methoxy-1- naphthalenyl)ethyl]-acetamide) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (N-[2-(7-Methoxy-1-naphthalenyl)ethyl]- acetamide) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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