1.0 2011-09-21 00:27:50 UTC 2015-07-21 06:57:38 UTC FDB023308 1-Benzyl-1,2,3,4-tetrahydroisoquinoline 1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154) [HMDB] (r,s)-tetrahydrobenzylisoquinoline (RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline 1-Benzyl-1,2,3,4-tetrahydroisoquinoline 1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinoline 1BnTIQ C16H17N 223.3129 223.136099549 1-benzyl-1,2,3,4-tetrahydroisoquinoline 1BnTIQ 19716-56-4 C(C1NCCC2=CC=CC=C12)C1=CC=CC=C1 InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2 YRYCIFUZSUMAAY-UHFFFAOYSA-N belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Benzylisoquinolines Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Aromatic heteropolycyclic compounds Aralkylamines Azacyclic compounds Benzene and substituted derivatives Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Tetrahydroisoquinolines Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzylisoquinoline Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline benzyltetrahydroisoquinoline Solid logp 3.48 ALOGPS logs -4.80 ALOGPS solubility 3.52e-03 g/l ALOGPS logp 3.64 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 1-benzyl-1,2,3,4-tetrahydroisoquinoline ChemAxon average_mass 223.3129 ChemAxon mono_mass 223.136099549 ChemAxon smiles C(C1NCCC2=CC=CC=C12)C1=CC=CC=C1 ChemAxon formula C16H17N ChemAxon inchi InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2 ChemAxon inchikey YRYCIFUZSUMAAY-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 71.65 ChemAxon polarizability 26.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16367 Specdb::CMs 173432 Specdb::MsMs 302224 Specdb::MsMs 302225 Specdb::MsMs 302226 Specdb::MsMs 344902 Specdb::MsMs 344903 Specdb::MsMs 344904 Specdb::MsMs 2342346 Specdb::MsMs 2342347 Specdb::MsMs 2342348 Specdb::MsMs 2593762 Specdb::MsMs 2593763 Specdb::MsMs 2593764 HMDB04087 16804 #<Reference:0x000055ce31719ee0> #<Reference:0x000055ce31719cb0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823