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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
139594
PubMed

PubMed

TitleDatePubMed
The putative 5-HT1A receptor antagonist DU125530 blocks the discriminative stimulus of the 5-HT1A receptor agonist flesinoxan in pigeons.
1997 May 1
Ultrasonic vocalizations in rat pups: effects of serotonergic ligands.
1998
Anxiolytic effects of flesinoxan in the stress-induced hyperthermia paradigm in singly-housed mice are 5-HT1A receptor mediated.
1998 Jan 26
The 5-HT1A receptor agonist flesinoxan shares discriminative stimulus properties with some 5-HT2 receptor antagonists.
1999 Oct
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 Jun
Preclinical and clinical characterization of the selective 5-HT(1A) receptor antagonist DU-125530 for antidepressant treatment.
2012 Nov

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
Common Name English
DU-125530
Code 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 Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY
PUBCHEM
9848499
Created by admin on Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID00167208
Created by admin on Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY
FDA UNII
ZB05V621UD
Created by admin on Sat Dec 16 19:07:19 GMT 2023 , Edited by admin on Sat Dec 16 19:07:19 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of DU125530
NIH
NCATS
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