SML4059

Elagolix sodium

≥98% (HPLC)

• Synonym(s): (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}butyric acid sodium salt, Elagolix sodium salt, NBI 56418, NBI-56418, NBI56418
• Empirical Formula (Hill Notation): C₃₂H₂₉F₅N₃O₅·Na
• CAS Number: 832720-36-2
• Molecular Weight: 653.57
• MDL number: MFCD12546649
• UNSPSC Code: 12352200

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: H₂O: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: CC1=C(C2=C(C(OC)=CC=C2)F)C(N(C(N1CC3=C(C=CC=C3F)C(F)(F)F)=O)C[C@@H](C4=CC=CC=C4)NCCCC(O[Na])=O)=O

Description

Biochem/physiol Actions

Orally active human gonadotropin releasing hormone (GnRH)/luteinizing hormone releasing hormone (LHRH) receptor (GnRHR, LHRHR) antagonist.
Elagolix is an orally active, potent, high-affinity human gonadotropin-releasing hormone (GnRH)/luteinizing hormone-releasing hormone (LH-RH) receptor (GnRHR, LHRHR) antagonist (Ki = 0.9 nM/human, 3.3 nM/monkey, 4.4 µM/rat) that effectively blocks GnRH-induced inositol phosphate production in RBL-1 hGnRH-R transfectants (IC50 = 1.5 nM against 6 nM GnRH). Oral administration in castrated male cynomolgus macaques effectively reduces circulating LH in a reversible manner in vivo (75% reduction 8h post 30 mg/kg p.o.).

Caution

Hygroscopic

Safety Information

• Pictograms: GHS08
• Signal Word: Warning
• Hazard Statements: H361d
• Precautionary Statements: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Repr. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable