U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Molecular Formula C23H26ClN3O5S
Molecular Weight 491.988
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
Ultrasonic vocalizations in rat pups: effects of serotonergic ligands.
1998
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
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:19 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:19 GMT 2023
Record UNII
ZB05V621UD
Record Status Validated (UNII)
Record Version
  • Download
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
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966