Elagolix (sodium salt)

Elagolix is an antagonist of the gonadotropin-releasing hormone receptor (GnRHR, Ki = 0.9 nM in a radioligand binding assay). It is selective for GnRHR over the cytochrome P450 (CYP) isoform CYP3A4 (IC50 = 56 µM) as well as a panel of 100 receptors, ion channels, enzymes, and transporters (IC50s = >10 µM). Elagolix inhibits GnRH-induced inositol phosphate production in RBL-1 cells expressing human GnRHR (IC50 = 1.5 nM). In vivo, elagolix (30 mg/kg) suppresses production of luteinizing hormone in castrated male cynomolgus macaques. Formulations containing elagolix have been used in the treatment of endometriosis.Formal Name: 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]-butanoic acid, monosodium salt. CAS Number: 832720-36-2. Molecular Formula: C32H29F5N3O5 . Na. Formula Weight: 653.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 12.5 mg/ml, DMSO: 10 mg/ml, Ethanol: 10 mg/ml, PBS (pH 7.2): 10 mg/ml. lambdamax: 275 nm. SMILES: O=C(N(CC1=C(F)C=CC=C1C(F)(F)F)C(C)=C2C3=C(F)C(OC)=CC=C3)N(C[C@H](NCCCC([O-])=O)C4=CC=CC=C4)C2=O.[Na+]. InChi Code: InChI=1S/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. InChi Key: DQYGXRQUFSRDCH-UQIIZPHYSA-M.