3,4-Dihydronaphthalen-1(2H)-one

3,4-Dihydronaphthalen-1(2H)-one Structure
3,4-Dihydronaphthalen-1(2H)-one structure
Common Name 3,4-Dihydronaphthalen-1(2H)-one
CAS Number 529-34-0 Molecular Weight 146.19
Density 1.1±0.1 g/cm3 Boiling Point 255.8±10.0 °C at 760 mmHg
Molecular Formula C10H10O Melting Point 2-7 °C(lit.)
MSDS Chinese USA Flash Point 104.6±14.0 °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...

Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques

Eur. J. Med. Chem. 44 , 1941-51, (2009)

A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and ...