Introduction：Basic information about CAS 166526-99-4|3-Hydroxy agomelatine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Hydroxy agomelatine |
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| CAS Number | 166526-99-4 | Molecular Weight | 259.300 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 545.8±40.0 °C at 760 mmHg |
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| Molecular Formula | C15H17NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 283.9±27.3 °C |
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Names
| Name | 3-Hydroxy Agomelatine |
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| Synonym | More Synonyms |
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3-Hydroxy agomelatine BiologicalActivity
| Description | 3-Hydroxy agomelatine is a metabolite of Agomelatine. 3-Hydroxy agomelatine is a 5-HT2C receptor antagonist with an IC50 of 3.2 μM and a Ki of 1.8 μM[1]. |
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| Related Catalog | Research Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT Receptor |
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| Target | 5-HT2C Receptor:3.2 μM (IC50) 5-HT2C Receptor:1.8 μM (Ki) |
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| In Vitro | Agomelatine and S 21517 have moderately high affinities for 5-HT2C receptors (Ki = 0.21 μM and 0.13 μM, respectively). The metabolite 3-Hydroxy agomelatine (S 21540) has a 10-fold lower affinity (Ki = 1.8 μM). Agomelatine, S 21517 and 3-Hydroxy agomelatine (10-7-10-4 M) are antagonists at 5-HT2C receptors, with a rank order of efficacy as follows: S 21517>Agomelatine>3-Hydroxy agomelatine[1]. |
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| In Vivo | Increasing doses (from 1.25 to 40 mg/kg, intraperitoneal injection) of 3-Hydroxy agomelatine (S 21540) does not affect the penile erections induced by mCPP and Ro 60-0175 in Wistar rat[1]. |
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| References | [1]. Chagraoui A, et al. Agomelatine(S 20098) antagonizes the penile erections induced by the stimulation of 5-HT2C receptors in Wistar rats. Psychopharmacology (Berl). 2003 Oct;170(1):17-22. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 545.8±40.0 °C at 760 mmHg |
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| Molecular Formula | C15H17NO3 |
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| Molecular Weight | 259.300 |
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| Flash Point | 283.9±27.3 °C |
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| Exact Mass | 259.120850 |
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| LogP | 1.53 |
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| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
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| Index of Refraction | 1.606 |
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| InChIKey | VUBBOOVHTBZRTJ-UHFFFAOYSA-N |
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| SMILES | COc1ccc2cc(O)cc(CCNC(C)=O)c2c1 |
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Synonyms
| N-[2-(3-Hydroxy-7-methoxy-1-naphthyl)ethyl]acetamide |
| Acetamide, N-[2-(3-hydroxy-7-methoxy-1-naphthalenyl)ethyl]- |
| N-(2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl)acetamide |
