CAS 832720-36-2

sodium 4-[[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoate

Description:

Sodium 4-[[[1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoate, identified by CAS number 832720-36-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amines, carboxylates, and aromatic rings. This compound is typically a sodium salt, indicating its solubility in water and potential use in biological systems. The presence of fluorine atoms suggests enhanced lipophilicity and potential bioactivity, making it of interest in pharmaceutical applications. Its pyrimidine core may contribute to its biological activity, possibly as an enzyme inhibitor or in other therapeutic roles. The methoxy and trifluoromethyl substituents can influence the compound's electronic properties and reactivity. Overall, this substance is likely to exhibit specific pharmacological properties, which would require further investigation through experimental studies to elucidate its mechanism of action and potential therapeutic uses.

Formula: C₃₂H₂₉F₅N₃NaO₅

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

SMILES: Cc1c(c2cccc(c2F)OC)c(=O)n(CC(c2ccccc2)NCCCC(=O)O)c(=O)n1Cc1c(cccc1F)C(F)(F)F.[Na]

Synonyms:

• Elagolix sodium
• Nbi 56418Na

Sodium (R)-4-((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

CAS: 832720-36-2

Sodium (R)-4-((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

Formula: C₃₂H₂₉F₅N₃NaO₅

Purity: 98%

Molecular weight: 653.57

Ref: 54-PC108964

NBI 56418NA

CAS: 832720-36-2

Formula: C₃₂H₂₉F₅N₃NaO₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 653.5715

Ref: IN-DA00GA5F

Elagolix sodium

CAS: 832720-36-2

Elagolix sodium

Formula: C₃₂H₂₉F₅N₃NaO₅

Purity: ≥98%

Molecular weight: 653.57

Ref: 54-BUP05881

Elagolix-13C-d3 Sodium Salt

CAS: 832720-36-2

Formula: C₃₁₁₃CH₂₆D₃F₅N₃O₅·Na

Color and Shape: Off-White Solid

Molecular weight: 634.60 22.99

Ref: 4Z-E-150002

Elagolix Sodium Salt

CAS: 832720-36-2

Formula: C₃₂H₂₉F₅N₃O₅·Na

Color and Shape: White To Off-White Solid

Molecular weight: 630.59 22.99

Ref: 4Z-E-150001

Elagolix sodium

CAS: 832720-36-2

Elagolix sodium (NBI-56418 sodium) is a GnRH receptor (GnRHR) antagonist ( IC50 and Ki of 0.25 and 3.7 nM, respectively).

Formula: C₃₂H₂₉F₅N₃NaO₅

Purity: 99.71%

Color and Shape: Solid

Molecular weight: 653.57

Ref: TM-T5031

Elagolix Sodium

CAS: 832720-36-2

Formula: C₃₂H₃₀F₅N₃O₅Na

Molecular weight: 631.6 : 23.0

Ref: ST-EA-CP-E9000

Elagolix Sodium

Controlled Product

CAS: 832720-36-2

Applications Elagolix Sodium is a novel uracil phenylethylamine that acts as potent human gonadotropin-​releasing hormone receptor (hGnRH-​R) antagonist.
References Chen, C. et al.: J. Med. Chem., 51, 7478 (2008);

Formula: C₃₂H₂₉F₅N₃O₅·Na

Color and Shape: Neat

Molecular weight: 653.57

Ref: TR-E501018

Elagolix sodium

CAS: 832720-36-2

Molecular weight: 653.582

Ref: 10-F986726

Elagolix-D9 Sodium Salt

Controlled Product

CAS: 832720-36-2

Formula: C₃₂D₉H₂₀F₅N₃NaO₅

Color and Shape: Neat

Molecular weight: 662.627

Ref: TR-E501011

Elagolix-d6 Sodium Salt (Major)

Controlled Product

CAS: 832720-36-2

Formula: C₃₂H₂₃D₆F₅N₃NaO₅

Color and Shape: Neat

Molecular weight: 659.61

Ref: TR-E501014

Elagolix sodium

CAS: 832720-36-2

Non-peptide GnRHR hormone receptor antagonist

Formula: C₃₂H₃₀F₅N₃O₅·Na

Purity: Min. 95%

Molecular weight: 654.58 g/mol

Ref: 3D-BE163657