U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14Br2N6O4S
Molecular Weight 546.193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APROCITENTAN

SMILES

NS(=O)(=O)NC1=C(C2=CC=C(Br)C=C2)C(OCCOC3=NC=C(Br)C=N3)=NC=N1

InChI

InChIKey=DKULOVKANLVDEA-UHFFFAOYSA-N
InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C16H14Br2N6O4S
Molecular Weight 546.193
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

ACT-132577 is the major and pharmacologically active metabolite of macitentan (ACT-064992), which is dual ETA/ETB endothelin (ET) receptor antagonist designed for tissue targeting.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
3.4 nM [IC50]
987.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:55:24 GMT 2025
Edited
by admin
on Mon Mar 31 22:55:24 GMT 2025
Record UNII
MZI81HV01P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACT-132577
Preferred Name English
APROCITENTAN
INN  
USAN   INN  
Official Name English
N-(5-(4-BROMOPHENYL)-6-(2-((5-BROMOPYRIMIDIN-2-YL)OXY)ETHOXY)PYRIMIDIN-4-YL)SULFAMIDE
Systematic Name English
SULFAMIDE, N-(5-(4-BROMOPHENYL)-6-(2-((5-BROMO-2-PYRIMIDINYL)OXY)ETHOXY)-4-PYRIMIDINYL)-
Systematic Name English
MACITENTAN METABOLITE M6
Common Name English
N-[5-(4-Bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfuric diamide
Systematic Name English
aprocitentan [INN]
Common Name English
N-(5-(4-BROMOPHENYL)-6-(2-((5-BROMO-2-PYRIMIDINYL)OXY)ETHOXY)-4-PYRIMIDINYL)-SULFAMIDE
Systematic Name English
TRYVIO
Brand Name English
Aprocitentan [WHO-DD]
Common Name English
APROCITENTAN [USAN]
USAN  
Common Name English
Code System Code Type Description
USAN
GH-03
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
SMS_ID
100000184049
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
DAILYMED
MZI81HV01P
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
INN
10552
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
FDA UNII
MZI81HV01P
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
NCI_THESAURUS
C174728
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
DRUG BANK
DB15059
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
PUBCHEM
25099191
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
CAS
1103522-45-7
Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
METABOLIC ENZYME -> INDUCER
Both ACT-064992 and ACT-132577 can induce CYP3A4 enzymes in vitro.
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY