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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H18BrClN4O3S
Molecular Weight 557.847
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RDEA-806 FREE ACID

SMILES

OC(=O)C1=CC=C(NC(=O)CSC2=NN=C(Br)N2C3=CC=C(C4CC4)C5=C3C=CC=C5)C(Cl)=C1

InChI

InChIKey=MPNGLQDRSJNLPL-UHFFFAOYSA-N
InChI=1S/C24H18BrClN4O3S/c25-23-28-29-24(34-12-21(31)27-19-9-7-14(22(32)33)11-18(19)26)30(23)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20/h1-4,7-11,13H,5-6,12H2,(H,27,31)(H,32,33)

HIDE SMILES / InChI

Molecular Formula C24H18BrClN4O3S
Molecular Weight 557.847
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:10:31 GMT 2025
Edited
by admin
on Mon Mar 31 19:10:31 GMT 2025
Record UNII
363Z97G83I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RDEA806 FREE ACID
Preferred Name English
RDEA-806 FREE ACID
Code English
BENZOIC ACID, 4-((2-((5-BROMO-4-(4-CYCLOPROPYL-1-NAPHTHALENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)-3-CHLORO-
Systematic Name English
BENZOIC ACID, 4-((((5-BROMO-4-(4-CYCLOPROPYL-1-NAPHTHALENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)-3-CHLORO-
Systematic Name English
4-(2-(5-BROMO-4-(L-CYCLOPROPYLNAPHTHALEN-4-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO) ACETAMIDO-3-CHLOROBENZOIC ACID
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Discovery and development of non-nucleoside reverse-transcriptase inhibitors
Created by admin on Mon Mar 31 19:10:31 GMT 2025 , Edited by admin on Mon Mar 31 19:10:31 GMT 2025
PRIMARY
CAS
878670-61-2
Created by admin on Mon Mar 31 19:10:31 GMT 2025 , Edited by admin on Mon Mar 31 19:10:31 GMT 2025
PRIMARY
FDA UNII
363Z97G83I
Created by admin on Mon Mar 31 19:10:31 GMT 2025 , Edited by admin on Mon Mar 31 19:10:31 GMT 2025
PRIMARY
PUBCHEM
16221816
Created by admin on Mon Mar 31 19:10:31 GMT 2025 , Edited by admin on Mon Mar 31 19:10:31 GMT 2025
PRIMARY
WIKIPEDIA
File:RDEA806.svg
Created by admin on Mon Mar 31 19:10:31 GMT 2025 , Edited by admin on Mon Mar 31 19:10:31 GMT 2025
PRIMARY Chemical structure of RDEA806, a triazole NNRTI.
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Non-nucleoside inhibitor
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY
Originator: Valeant Pharmaceuticals International; Developer: Ardea Biosciences; Class: Antigout, Antiretroviral, Benzoic acid, Small molecule, Triazole; Mechanism of Action: Non-nucleoside reverse transcriptase inhibitor; Highest Development Phase: Discontinued for HIV infections; Most Recent Events: 30 May 2014 Discontinued - Phase-II for HIV infections in Europe, including Germany and the UK prior to May 2014 (PO), 20 Jun 2012 Ardea Biosciences has been acquired by AstraZeneca, 03 Feb 2011 RDEA 806 is still available for licensing as of 03 Feb 2011. http://www.ardeabio.com/