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GBR 12935

CAT: 0013-GTR19202853-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202853-03Size:100 mg
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Description
GBR-12935 is a selective piperazine-based dopamine transporter (DAT) inhibitor. It is extensively utilized in neuroscience research to investigate dopaminergic pathways, including studies on Parkinson's disease, reward mechanisms, and psychostimulant effects in both in vitro and in vivo models.
CAS Number
76778-22-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (OCCN1CCN (CCCC2=CC=CC=C2) CC1) (C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C28H34N2O
Molecular Weight
414.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine

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+).

CAS Number76778-22-8
PubChem CID3456
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine
Molecular FormulaC28H34N2O
Molecular Weight414.6
XLogP5.4
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity440
SMILES
C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKey
RAQPOZGWANIDQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CAS: 76778-22-8
CID: 3456
Formula: C28H34N2O
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass414.267113712
Monoisotopic Mass414.267113712
Topological Polar Surface Area15.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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