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Elagolix sodium

Names

[ CAS No. ]:
832720-36-2

[ Name ]:
Elagolix sodium

[Synonym ]:
Sodium 4-({(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl]-1-phenylethyl}amino)butanoate
UNII-5948VUI423
Elagolix sodium
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]-, sodium salt (1:1)
Sodium 4-({(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]-1-phenylethyl}amino)butanoate
Elagolix

Biological Activity

[Description]:

Elagolix sodium is a human GnRH receptor (GnRHR) antagonist with an IC50 and Ki of 0.25 and 3.7 nM, respectively.

[Related Catalog]:

Signaling Pathways >> GPCR/G Protein >> GNRH Receptor
Research Areas >> Endocrinology

[Target]

IC50: 0.25 nM (GnRHR)[1] Ki: 3.7 nM (GnRHR)[2]


[In Vitro]

Elagolix sodium is a human GnRH receptor (GnRHR) antagonist with an IC50 of 0.25 nM in Kinase assay. Elagolix sodium has advanced to phase 3 trials for the treatment of endometriosis and uterine fibroids. Elagolix sodium also shows NFAT inhibition with an IC50 of 5.4 nM and effectively blocks Ca2+ flux with an IC50 of 0.86 nM[1]. Kinase assay also demonstrates that Elagolix sodium is a human GnRH receptor (GnRHR) antagonist with a Ki value of 3.7 nM[2].

[Kinase Assay]

The affinity of Elagolix sodium for hGnRH-R is determined by a competitive displacement of the radioligand GnRH from membranes prepared from HEK293 cells stably transfected with the full-length human GnRH receptor[2].

[Cell Assay]

RBL-1 cells stably expressing the human cloned GnRH receptor are seeded into 96 well plates at a density of 15 000 cells per well in inositol-free DMEM containing 10% dialyzed FBS, 10 mM HEPES, 2 mM L-glutamine, 1 mM sodium pyruvate, 0.1 mM nonessential amino acids, and 50 μg/mL penicillin/streptomycin and are labeled for 48 h with 0.2 μCi myo-2-[3H]inositol. The cells are washed once in PBS and pretreated with assay buffer for 15 to 60 min at 37°C. The cells are then stimulated with GnRH (6 nM) in the presence or absence of Elagolix sodium and incubated for 60 min at 37°C[2].

[References]

[1]. Kim SM, et al. Discovery of an Orally Bioavailable Gonadotropin-Releasing Hormone Receptor Antagonist. J Med Chem. 2016 Oct 13;59(19):9150-9172. Epub 2016 Sep 27.

[2]. Chen C, et al. 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. J Med Chem. 2008 Dec 11;51(23):7478-85.


[Related Small Molecules]

(Des-Gly10,D-Leu6,Pro-NHEt9)-LHRH acetate salt | Alarelin | Cetrorelix Acetate | [D-Trp6]-LH-RH | (D-Ser(tBu)6,AzaGly10)-LHRH acetate salt | Deslorelin | Buserelin (Acetate) | elagolix | Relugolix | (D-2-Nal6)-LHRH acetate salt | Gonadorelin Acetate | (Des-Gly10,tBu-D-Gly6,Pro-NHEt9)-LHRH trifluoroacetate salt | opigolix

Chemical & Physical Properties

[ Molecular Formula ]:
C32H29F5N3NaO5

[ Molecular Weight ]:
653.571

[ Exact Mass ]:
653.192505

[ PSA ]:
105.39000

[ LogP ]:
4.59120

[ Storage condition ]:
-20℃

Related Compounds