Basic information
- CAS
162705-22-8- Standard SMILES
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N.Cl- InChIKey
SCJGXQSJGQUCFA-YSMBQZINSA-N- Molecular formula
- C18H22ClNO4
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.1237359
Names & identifiers
- Preferred name
- AC-7739
- IUPAC
- 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;hydrochloride
- English name
- Benzenamine,2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, hydrochloride (1:1)
- Molecular formula
- C18H21NO4.ClH
- Molecular weight
- 351.83
Names & synonyms
AC-7739162705-22-887493X8D7KUNII-87493X8D7KBenzenamine, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, hydrochlorideBenzenamine, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, hydrochloride (1:1)Benzenamine, 2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, hydrochloride, (Z)-RefChem:199324AVE-8063 (hydrochloride)CHEMBL542922orb2276850SCHEMBL6842159
Show more names
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline hydrochlorideBenzenamine,2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-, hydrochloride (1:1)
SCHEMBL29351804AC 7739T71924LCS-1224836Q27269789(Z)-2-Methoxy-5-(3,4,5-trimethoxystyryl)aniline hydrochloride
Database identifiers
- CAS
162705-22-8- PubChem CID
- 9798564
- ChEMBL
CHEMBL542922- UNII
- 87493X8D7K
Properties
Computed structural properties
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- FDA UNII
- 87493 X8D7K · 87493X8D7K
Chemistry & industry
Applications
UsesAVE-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.
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
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Compound notes
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