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Details

Stereochemistry ACHIRAL
Molecular Formula C23H26ClN3O5S
Molecular Weight 491.988
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DU125530

SMILES

ClC1=CC(N2CCN(CCCCN3C(=O)C4=C(C=CC=C4)S3(=O)=O)CC2)=C5OCCOC5=C1

InChI

InChIKey=LYXKFNHUJJDTIA-UHFFFAOYSA-N
InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2

HIDE SMILES / InChI

Description

DU125530 is a selective 5-HT1A receptor antagonist. DU-125530 showed equal potency to displace agonist and antagonist binding to pre- and post-synaptic 5-HT1A receptors in rat and human brain. It has potential applications in the treatment of anxiety, depression and mood disorders.

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Preclinical and clinical characterization of the selective 5-HT(1A) receptor antagonist DU-125530 for antidepressant treatment.
2012-11
5-Hydroxytryptamine1A receptor occupancy by novel full antagonist 2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzdioxyn-5-yl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3-(2H)-one-1,1-dioxide: a[11C][O-methyl-3H]-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridinyl)cyclohexanecarboxamide trihydrochloride (WAY-100635) positron emission tomography study in humans.
2002-06
The 5-HT1A receptor agonist flesinoxan shares discriminative stimulus properties with some 5-HT2 receptor antagonists.
1999-10
Anxiolytic effects of flesinoxan in the stress-induced hyperthermia paradigm in singly-housed mice are 5-HT1A receptor mediated.
1998-01-26
Ultrasonic vocalizations in rat pups: effects of serotonergic ligands.
1998
The putative 5-HT1A receptor antagonist DU125530 blocks the discriminative stimulus of the 5-HT1A receptor agonist flesinoxan in pigeons.
1997-05-01

Sample Use Guides

In Vivo Use Guide
10- to 40-mg daily dose
Route of Administration: Oral
Name Type Language
DU125530
Common Name English
DU-125530
Preferred Name English
DU 125530
Common Name English
1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-(4-(4-(7-CHLORO-2,3-DIHYDRO-1,4-BENZODIOXIN-5-YL)-1-PIPERAZINYL)BUTYL)-, 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
CAS
161611-99-0
Created by admin on Wed Apr 02 13:40:10 GMT 2025 , Edited by admin on Wed Apr 02 13:40:10 GMT 2025
PRIMARY
PUBCHEM
9848499
Created by admin on Wed Apr 02 13:40:10 GMT 2025 , Edited by admin on Wed Apr 02 13:40:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID00167208
Created by admin on Wed Apr 02 13:40:10 GMT 2025 , Edited by admin on Wed Apr 02 13:40:10 GMT 2025
PRIMARY
FDA UNII
ZB05V621UD
Created by admin on Wed Apr 02 13:40:10 GMT 2025 , Edited by admin on Wed Apr 02 13:40:10 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of DU125530
NIH
NCATS
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