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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H30F5N3O5
Molecular Weight 631.5897
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELAGOLIX

SMILES

COC1=CC=CC(=C1F)C2=C(C)N(CC3=C(C=CC=C3F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C4=CC=CC=C4)C2=O

InChI

InChIKey=HEAUOKZIVMZVQL-VWLOTQADSA-N
InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1

HIDE SMILES / InChI

Approval Year

PMID

PMID

TitleDatePMID
Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor.
2008 Dec 11
Discovery of 1-{4-[1-(2,6-difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor.
2011 Jul 28
Patent
Name Type Language
ELAGOLIX
INN   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
ELAGOLIX [INN]
Common Name English
ELAGOLIX [USAN]
Common Name English
ELAGOLIX [WHO-DD]
Common Name English
NBI-56418
Code English
4-(((1R)-2-(5-(2-FLUORO-3-METHOXYPHENYL)-3-((2-FLUORO-6-(TRIFLUOROMETHYL)PHENYL)METHYL)- 4-METHYL-2,6-DIOXO-3,6-DIHYDROPYRIMIDIN-1(2H)-YL)-1-PHENYLETHYL)AMINO)BUTANOIC ACID
Systematic Name English
ELAGOLIX [MI]
Common Name English
BUTANOIC ACID, 4-(((1R)-2-(5-(2-FLUORO-3-METHOXYPHENYL)-3-((2-FLUORO-6-(TRIFLUOROMETHYL)PHENYL)METHYL)-3,6-DIHYDRO-4-METHYL-2,6-DIOXO-1(2H)-PYRIMIDINYL)-1- PHENYLETHYL)AMINO)-
Common Name English
Code System Code Type Description
CAS
834153-87-6
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY
EPA CompTox
834153-87-6
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY
MERCK INDEX
M4850
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY Merck Index
WIKIPEDIA
Elagolix
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY
PUBCHEM
11250647
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY SWITZERF
MESH
C539351
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY
INN
8983
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY
ChEMBL
CHEMBL1208155
Created by admin on Tue Mar 06 12:35:37 UTC 2018 , Edited by admin on Tue Mar 06 12:35:37 UTC 2018
PRIMARY