7-Desmethylagomelatine
7-Desmethylagomelatine structure
|
Common Name | 7-Desmethylagomelatine | ||
|---|---|---|---|---|
| CAS Number | 152302-45-9 | Molecular Weight | 229.274 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 511.3±33.0 °C at 760 mmHg | |
| Molecular Formula | C14H15NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 263.0±25.4 °C | |
Use of 7-Desmethylagomelatine7-Desmethyl-agomelatine is a metabolite of Agomelatine. Agomelatineis a potent agonist at melatonin receptors (MT1 and MT2), and also is an antagonist of 5-HT2C[1][2]. |
Summary: N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide, also known as 7-Desmethylagomelatine, CAS号152302-45-9, molecular formula C14H15NO2, molecular weight 229.274. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 7-Desmethyl-agomelatine is a metabolite of Agomelatine. Agomelatineis a potent agonist at melatonin receptors (MT1 and MT2), and also is an antagonist of 5-HT2C[1][2]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 511.3±33.0 °C at 760 mmHg |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.274 |
| Flash Point | 263.0±25.4 °C |
| Exact Mass | 229.110275 |
| PSA | 52.82000 |
| LogP | 1.62 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.624 |
| InChIKey | UNTZQBYXDYYXIY-UHFFFAOYSA-N |
| SMILES | CC(=O)NCCc1cccc2ccc(O)cc12 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2924299090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~79%
7-Desmethylagom... CAS#:152302-45-9 |
| Literature: Ettaoussi, Mohamed; Sabaouni, Ahmed; Rami, Marouan; Boutin, Jean A.; Delagrange, Philippe; Renard, Pierre; Spedding, Michael; Caignard, Daniel-Henri; Berthelot, Pascal; Yous, Said European Journal of Medicinal Chemistry, 2012 , vol. 49, p. 310 - 323 |
|
~%
7-Desmethylagom... CAS#:152302-45-9 |
| Literature: SYMED LABS LIMITED; MOHAN RAO, Dodda; ANNA REDDY, Ambati Patent: WO2014/64706 A1, 2014 ; Location in patent: Page/Page column 76 ; |
|
~%
7-Desmethylagom... CAS#:152302-45-9 |
| Literature: Depreux; Lesieur; Mansour; Morgan; Howell; Renard; Caignard; Pfeiffer; Delagrange; Guardiola; Yous; Demarque; Adam; Andrieux Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3231 - 3239 |
|
~%
7-Desmethylagom... CAS#:152302-45-9 |
| Literature: SYMED LABS LIMITED; MOHAN RAO, Dodda; ANNA REDDY, Ambati Patent: WO2014/64706 A1, 2014 ; |
![N-[2-(7-hydroxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]acetamide structure](https://image.chemsrc.com/caspic/259/296280-78-9.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Activity (expressed as cAMP index) measured by the melatonin-mediated inhibition of f...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714711
|
|
Name: Blocking the inhibitory effect of 1 nM melatonin.
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714702
|
|
Name: Negative logarithm of relative affinity (pRA) towards melatonin receptor (relative to...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL715566
|
|
Name: Binding affinity to melatonin receptor measured on ovine pars tuberalis membrane
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714705
|
|
Name: Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatoni...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714909
|
|
Name: Monophasic inhibitory concentration against melatonin receptor was measured on ovine ...
Source: ChEMBL
Target: Melatonin receptor type 1B
External Id: CHEMBL714704
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-Demethyl-Agomelatine |
| N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide |
| N-[2-(7-Hydroxy-1-naphthyl)ethyl]acetamide |
| N-(2-(7-hydroxy-1-naphthyl)ethyl)acetamide |
| Agomelatine Impurity 12 |
| 7-Desmethylagomelatine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide have? |
| A: English synonyms of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide: 7-Demethyl-Agomelatine, N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide, N-[2-(7-Hydroxy-1-naphthyl)ethyl]acetamide, N-(2-(7-hydroxy-1-naphthyl)ethyl)acetamide, Agomelatine Impurity 12, 7-Desmethylagomelatine. |
| Q: What is the LogP of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: LogP of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is 1.62. |
| Q: What are the upstream materials of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: Related upstream materials(CAS) of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide: 138112-76-2;296280-78-9;139525-77-2;22009-38-7. |
| Q: What is the CAS number of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: CAS number of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is 152302-45-9. |
| Q: What are the downstream products of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: Related downstream products(CAS) of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide: 138112-76-2. |
| Q: What is the InChIKey of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: InChIKey of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is UNTZQBYXDYYXIY-UHFFFAOYSA-N. |
| Q: What is the English name of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: The English name of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide. |
| Q: What is the molecular weight of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: Molecular weight of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is 229.274. |
| Q: What is the molecular formula of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: Molecular formula of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is C14H15NO2. |
| Q: What is the SMILES notation of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide? |
| A: SMILES notation of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]acetamide is CC(=O)NCCc1cccc2ccc(O)cc12. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |