2-(4-Methylphenyl)ethanamine

2-(4-Methylphenyl)ethanamine Structure
2-(4-Methylphenyl)ethanamine structure
Common Name 2-(4-Methylphenyl)ethanamine
CAS Number 3261-62-9 Molecular Weight 135.206
Density 1.0±0.1 g/cm3 Boiling Point 214.0±0.0 °C at 760 mmHg
Molecular Formula C9H13N Melting Point N/A
MSDS Chinese USA Flash Point 90.6±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

J. Med. Chem. 48 , 440-9, (2005)

The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies of 26 naphthalene and 16 non-naphthalene derivatives were de...

Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

J. Med. Chem. 48 , 3808-15, (2005)

The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors an...

Structure–activity correlations for β-phenethylamines at human trace amine receptor 1

Bioorg. Med. Chem. 16 , 7415-23, (2008)

CoMFA 3D-QSAR studies on the potency of 68 β-phenethylamine analogs to activate hTAAR 1 (61% steric, 39% electrostatic) indicates that bulk both at nitrogen and 4-aryl leads to lower potency.

Regioselective enzyme-catalyzed synthesis of sophorolipid esters, amides, and multifunctional monomers.

J. Org. Chem. 68(14) , 5466-77, (2003)

Novel enzyme-mediated synthetic routes were developed to provide a new family of sophorolipid derivatives and glycolopid-based amphiphilic monomers. These compounds are of great interest for their potential use in immunoregulation, as well as for other biolog...