Compound: 76778-22-8
SMILES: O(C(c1ccccc1)c2ccccc2)CCN3CCN(CCCc4ccccc4)CC3
InChIKey: RAQPOZGWANIDQT-UHFFFAOYSA-N
Synonyms: 76778-22-8, 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine, 1-(2-(benzhydryloxy)ethyl)-4-(3-phenylpropyl)piperazine, 1-(2-(diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine, DTXSID2043743, CHEBI:64093, 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine, RefChem:1053887, DTXCID0023743, Gbr 12935, GBR-12935, GBR12935, 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine, 1-(2 (Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine, CHEMBL26320, 9J9974WIBA, Piperazine, 1-(2-(diphenylmethoxy)ethyl)-4-(3-phenylpropyl)-, Piperazine, 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)-, GBR-12935 free base, UNII-9J9974WIBA, C28H34N2O, 76778-22-8 (free base), [3H]GBR12935, 1-(2-(Benzhydryloxy)ethyl)-4-(3-phenylpropyl)piperazine maleate, [3H]-GBR12935, 1-(2-Diphenylmethoxyethyl)-4-(3-phenylpropyl)piperazinedihydrochloride, Tocris-0514, J227.604F, Lopac-G-9659, Biomol-NT_000056, Lopac0_000560, MLS006012605, SCHEMBL726349, BPBio1_001315, GTPL4638, GTPL4639, orb1706401, 1-hydrocinnamyl-4-(2-(diphenylmethoxy)ethyl)piperazine, BDBM22167, GLXC-06455, HY-12242A, AKOS028110061, CCG-204650, CS-3131, FG65031, SDCCGSBI-0050543.P002, NCGC00015484-01, NCGC00015484-02, NCGC00015484-03, NCGC00015484-04, NCGC00015484-05, NCGC00015484-06, NCGC00024628-01, NCGC00024628-02, NCGC00024628-03, DA-73669, SMR004704148, D87612, Q5512952, BRD-K50135270-001-01-9, BRD-K50135270-300-01-5, BRD-K50135270-300-02-3
Theoretical properties:
molecular_formula: C28H34N2O
molecular_weight: 414.6 g/mol
exact_mass: 414.267113712 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 10
heavy_atom_count: 31
topological_polar_surface_area: 15.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine is an N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). It has a role as a dopamine uptake inhibitor. It is an ether, a N-alkylpiperazine and a tertiary amino compound. It is a conjugate base of a 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+).
chebi: An <em>N</em>-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (K<small><sub>D</sub></small> = 5.5 nM in rat striatal membranes).
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: GBR-12935 is a piperazine derivative which is a potent and selective dopamine reuptake inhibitor. It was originally developed in its 3H radiolabelled form for the purpose of mapping the distribution of dopaminergic neurons in the brain by selective labelling of dopamine transporter proteins. This has led to potential clinical uses in the diagnosis of Parkinson's disease, although selective radioligands such as Ioflupane (123I) are now available for this application. GBR-12935 is now widely used in animal research into Parkinson's disease and the dopamine pathways in the brain.