CAS 1174130-61-0

4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide

Description:

4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide is a complex organic compound characterized by its multi-functional structure, which includes a fluorobenzamide moiety and a pyrrolidine ring. This compound features a chiral center, indicating that it can exist in different stereoisomeric forms, which may influence its biological activity and pharmacological properties. The presence of the dimethylphenyl group contributes to its lipophilicity, potentially affecting its solubility and permeability in biological systems. The fluorine atom in the structure can enhance metabolic stability and influence the compound's interaction with biological targets. This substance may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential activity against specific biological pathways. Its synthesis and characterization would typically involve advanced organic chemistry techniques, and its properties would be assessed through various analytical methods to determine purity, stability, and efficacy in relevant applications.

Formula: C₂₆H₂₇FN₂O₂

InChI: InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1

InChI key: InChIKey=ZHPMYDSXGRRERG-DEOSSOPVSA-N

SMILES: C(N1[C@@H](CCC1)C2=CC(C)=CC(C)=C2)C3=CC=C(OC4=C(F)C=C(C(N)=O)C=C4)C=C3

Synonyms:

• LY2456302
• Benzamide, 4-[4-[[(2S)-2-(3,5-dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluoro-
• Aticaprant
• 4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide
• LY 2456302
• CERC 501
• (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
• LY2456302;LY 2456302;CERC501;CERC 501
• CERC-501(LY-2456302,Aticaprant)
• Aticaprant (CERC-501)
• CS-2732

Aticaprant

CAS: 1174130-61-0

Aticaprant

Purity: ≥98%

Molecular weight: 418.5g/mol

Ref: 54-BUP09080

Aticaprant

CAS: 1174130-61-0

Aticaprant (CERC-501) is a potent and centrally-penetrant antagonist of the kappa-opioid receptor (Ki: 0.807 nM).Cost-effective and quality-assured.

Formula: C₂₆H₂₇FN₂O₂

Purity: 99.53% - 99.93%

Color and Shape: Solid

Molecular weight: 418.5

Ref: TM-TQ0082