832720-36-2

Basic information

• Product Name: NBI 56418NA
• Synonyms: Elagolix sodiuM;NBI 56418NA;NBI 56418NA(elagolix na);4-{2-[5-(2-fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethylamino}-butyrate;elagolix sodium salt;Elagolix sodiu
• CAS NO: 832720-36-2
• Molecular Formula: C32H29F5N3NaO5
• Molecular Weight: 653.571546
• Mol File: 832720-36-2.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: NBI 56418NA(CAS DataBase Reference)
• NIST Chemistry Reference: NBI 56418NA(832720-36-2)
• EPA Substance Registry System: NBI 56418NA(832720-36-2)

Safety Data

• Hazardous Substances Data: 832720-36-2(Hazardous Substances Data)

Usage

Description

NBI 56418NA, also known as Elagolix Sodium, is a small molecule, orally active gonadotropin-releasing hormone (GnRH) receptor antagonist. It has the ability to suppress estradiol (E2) concentrations in a dose-dependent manner. It is selective for GnRHR over other receptors, ion channels, enzymes, and transporters. Elagolix sodium is a synthetic molecule, isolated as a hygroscopic, amorphous white to off-white to light yellow powder.

Uses

Used in Pharmaceutical Industry:
NBI 56418NA is used as a gonadotropin releasing hormone antagonist (GnRH antagonist) for the treatment of pain associated with endometriosis in women. It modulates the hormonal signaling pathways involved in endometriosis, providing relief from the painful symptoms associated with the condition.
Used in Clinical Trials:
NBI 56418NA is in phase III clinical trials for the treatment of uterine fibroids in women. It has the potential to offer advantages over currently available injectable peptide-based treatments, providing an orally available option for patients.
Used in Drug Development:
Elagolix sodium was originally developed by Neurocrine Biosciences and later licensed to Abbott (now Abbvie) for worldwide co-development of this indication in 2010. It represents a novel approach to treating endometriosis and uterine fibroids, with the potential to improve the quality of life for millions of women worldwide.

Synthesis Reference(s)

PROCESS FOR THE PREPARATION OF ELAGOLIX SODIUM AND ITS POLYMORPHThe US patent number 7056927 B2 discloses, elagolix sodium salt as a white solid and process for its preparation in Example-1; Step-IH.The US patent number 8765948 B2 discloses a process for preparation of amorphous elagolix sodium by spray drying method and solid dispersion of amorphous elagolix sodium with a polymer.

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].

InChI:InChI=1/C32H30F5N3O5.Na/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);/q;+1/p-1/t25-;/m0./s1