HuagongsheHuagongshe Chemistry Print Report · For research reference only
AC-7739
AC 7739 · 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline hydrochloride · Benzenamine,2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, hydrochloride (1:1)
Identifiers & Physical Properties
| CAS No. | 162705-22-8 |
|---|---|
| Molecular formula | C18H22ClNO4 |
| Average molar mass | 351.8 g/mol |
| Monoisotopic mass | 351.1237359 g/mol |
| SMILES | COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N.Cl |
| InChIKey | SCJGXQSJGQUCFA-YSMBQZINSA-N |
| PubChem CID | 9798564 |
| ChEMBL | CHEMBL542922 |
Chemical & Physical Properties
| Topological polar surface area | 62.9 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 362 |
| Melting point | 117-118 °C |
| FDA UNII | 87493X8D7K |
Applications & Uses
Uses
AVE-8063 (AC-7739) hydrochloride is a therapeutic agent associated with the modulation of inflammatory responses in inflammatory bowel disease (IBD), displaying mechanisms that may be relevant for precision targeting in current therapies.