Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H21NS |
| Molecular Weight | 295.442 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSC1=CC=C(C=C1)[C@H]2CN3CCC[C@H]3C4=CC=CC=C24
InChI
InChIKey=YVKDUIAAPBKHMJ-MOPGFXCFSA-N
InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
| Molecular Formula | C19H21NS |
| Molecular Weight | 295.442 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/11919520Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/11391781
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11919520
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/11391781
MCN-5652W68 is pharmacologically inactive enantiomer of an selective serotonin reuptake MCN-5652. The enantiomers of McN-5652 differed in their ability to inhibit ex vivo binding of paroxetine in rat frontal cortex and hypothalamus, in vitro uptake of 5-HT in rat blood platelets, and 5-HT-induced contraction of rat vascular smooth muscle, with (+)-McN-5652-Z being most active. No difference was observed between the effects of (+)- and (-)-McN-5652-Z on 5-HT metabolism by rat brain monoamine oxidase. MCN-5652, as enantiomeric mixture, is currently being used for positron emission tomography studies.
CNS Activity
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11391781 |
712.0 nM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11919520
injection of 455.1 to 728.2 (mean, 625.9 ± 138.2) MBq [11C](−)McN5652
Route of Administration:
Intravenous
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11391781
Binding affinity for (-)-McN5652 was determined at 21°C and 37°C in a final volume of 300 ml of buffer 3, which contained 50 ml of membrane suspension and (-)-McN5652 at one of eight concentrations between 1nM and 10 mkM Nonspecific binding was determined using 1 mM paroxetine as inhibitor. The binding
at each concentration was determined with two samples for total binding and one for nonspecific binding. After 3.5 h incubation the samples were filtered using a 24-channel cell harvester Five ml of buffer 3 (20°C) was added to each sample, which was then filtered through Whatman GF/B glass-fiber filters and washed with 20 ml buffer 3. The filters had been soaked with 0.5% polyethylenimine prior to filtration in order to reduce and stabilize nonspecific binding to the filters. The filters were dried overnight and counted in Ultima Gold
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:38:25 GMT 2025
by
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on
Mon Mar 31 23:38:25 GMT 2025
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| Record UNII |
Y33Z4ABP6N
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| Record Status |
Validated (UNII)
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| Related Record | Type | Details | ||
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ENANTIOMER -> ENANTIOMER |
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LABELED -> NON-LABELED |
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RACEMATE -> ENANTIOMER |
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