CAS 845614-12-2

[4-[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]methanone

Description:

The chemical substance with the name "[4-[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]methanone" and CAS number "845614-12-2" is a complex organic compound characterized by its multi-functional groups and fluorinated moieties. It features a piperazine ring, which is known for its role in enhancing solubility and biological activity. The presence of trifluoromethyl and fluoro groups contributes to its lipophilicity and potential bioactivity, making it of interest in pharmaceutical applications. The methylsulfonyl group may enhance metabolic stability and solubility. This compound likely exhibits significant interactions with biological targets, potentially influencing its pharmacological properties. Its structural complexity suggests potential utility in medicinal chemistry, particularly in the development of therapeutics targeting specific receptors or enzymes. As with many fluorinated compounds, it may also exhibit unique physical and chemical properties, such as altered boiling and melting points, compared to non-fluorinated analogs. Further studies would be necessary to elucidate its specific biological activity and therapeutic potential.

Formula: C₂₁H₂₀F₇N₃O₄S

InChI: InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m1/s1

InChI key: InChIKey=YUUGYIUSCYNSQR-GFCCVEGCSA-N

SMILES: C(=O)(C1=C(O[C@@H](C(F)(F)F)C)C=CC(S(C)(=O)=O)=C1)N2CCN(CC2)C3=C(F)C=C(C(F)(F)F)C=N3

Synonyms:

• Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]-
• [4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]phenyl]methanone
• Piperazine, 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-[5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoyl]-
• [4-[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]methanone

Bitopertin R enantiomer

CAS: 845614-12-2

Bitopertin is a glycine reuptake inhibitor, which is sourced from the development of selective central nervous system agents. It works by inhibiting the glycine transporter type 1 (GlyT1), thereby increasing extracellular glycine levels, particularly in regions with high densities of NMDA receptors. This modulation of glycine levels plays a crucial role in enhancing NMDA receptor function, which is pivotal for synaptic plasticity and neurotransmission.

Formula: C₂₁H₂₀F₇N₃O₄S

Purity: Min. 95%

Molecular weight: 543.46 g/mol

Ref: 3D-VIB61412

Bitopertin (R enantiomer)

CAS: 845614-12-2

Bitopertin R enantiomer (RG1678 R enantiomer) is the R-enantiomer of Bitopertin.

Formula: C₂₁H₂₀F₇N₃O₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 543.46

Ref: TM-T10552