Basic information
- CAS
109306-94-7- Standard SMILES
Cc1cc(C(=O)Nc2c(C)cccc2C)cc(C)c1N- InChIKey
ZSXGPMMRFFQFCH-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- LY 201409
- IUPAC
- 4-amino-N-(2,6-dimethylphenyl)-3,5-dimethylbenzamide
- English name
- LY 201409
- Molecular formula
- C17H20N2O
- Molecular weight
- 268.35
Names & synonyms
109306-94-7LY 201409LY-201409DTXSID80148873LY201409RefChem:154486DTXCID20713644-Amino-N-(2,6-dimethylphenyl)-3,5-dimethylbenzamideBenzamide, 4-amino-N-(2,6-dimethylphenyl)-3,5-dimethyl-CHEMBL45879orb1700089SCHEMBL10401521
Show more names
4-Amino-3,5-dimethyl-N-(2,6-dimethylphenyl)benzamide
AKOS040748798CS-0063391T27892
Database identifiers
- CAS
109306-94-7- PubChem CID
- 131012
- DTXSID
DTXSID80148873- ChEMBL
CHEMBL45879- Nikkaji
- J380.213B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 167 · 167-169 °C
- Boiling point
- 387.7 · 387.7±42.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.70(Predicted)
Chemistry & industry
Applications
DescriptionLY 201409 is a potent benzamide anticonvulsant. LY201409 antagonized maximal electroshock (MES)-induced seizures with ED50 values of 16.2 and 4.2 mg/kg after oral administration to mice and rats, respectively.
UsesLY 201409 is an anticonvulsant compound that is an analog of LY-201116 (HY-114705) with improved metabolic activity. LY 201409 antagonizes maximal electroconvulsive-induced seizures, has mixed effects on seizures induced by multiple chemoconvulsants, and affects behavior and sleep in mice[1].
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
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Compound notes
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