McN5652
Names | |
---|---|
IUPAC name
rel-(6R,10bS)-6-[4-(Methylsulfanyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
| |
Other names
trans-McN-5652
| |
Identifiers | |
| |
3D model (
JSmol ) |
|
ChEMBL | |
ChemSpider | |
PubChem CID
|
|
UNII | |
| |
| |
Properties | |
C19H21NS | |
Molar mass | 295.44 g·mol−1 |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
|
McN5652[1] is a molecule that can be radiolabeled and then used as a radioligand in positron emission tomography (PET) studies. The [11C]-(+)-McN5652 enantiomer binds to the serotonin transporter.[2] The radioligand is used for molecular neuroimaging and for imaging of the lungs.[3]
It was developed by
McNeil Laboratories
. According to McNeil, McN5652 was among the strongest SRI ever reported at the time of its discovery (sub nM Ki). However, it is not completely 5-HT selective: the racemate has 5-HT=0.68, NA=2.9, and D=36.8nM, whereas (+)-enantiomer has 5-HT=0.39, NA=1.8, and D=23.5 nM. Paroxetine was listed as 5-HT=0.44 nM, NA=20, and DA=460nM in the same paper by the same authors.
Derivatives
McN5652 and related structures have been analyzed for
QSAR in terms of binding to the MAT receptor binding site.[4]
See also
- DASB
- JNJ-7925476 (p-ethynyl)
References