CAS 845614-11-1

Bitopertin

Description:

Bitopertin is a chemical compound classified as a selective inhibitor of the enzyme glycine transporter 1 (GlyT1). It is primarily investigated for its potential therapeutic applications in treating schizophrenia and other neuropsychiatric disorders by enhancing glycine levels in the synaptic cleft, which may improve NMDA receptor function. Bitopertin is characterized by its specific molecular structure, which includes a unique arrangement of atoms that contributes to its biological activity. The compound is typically administered in oral form and has undergone various clinical trials to assess its efficacy and safety profile. Its pharmacokinetics involve absorption, distribution, metabolism, and excretion processes that are crucial for determining its therapeutic potential. As with many investigational drugs, the side effects and interactions with other medications are important considerations in its development. Overall, Bitopertin represents a promising avenue in the search for effective treatments for conditions associated with NMDA receptor hypofunction.

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-/m0/s1

InChI key: InChIKey=YUUGYIUSCYNSQR-LBPRGKRZSA-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:

• (S)-[4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-(methanesulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)phenyl]methanone
• (S)-[4-(3-fluoro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone
• Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1S)-2,2,2-trifluoro-1-methylethoxy]phenyl]-
• Piperazine, 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-[5-(methylsulfonyl)-2-[(1S)-2,2,2-trifluoro-1-methylethoxy]benzoyl]-
• R 1678
• Rg 1678
• Ro 4917939
• [4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-methylethyl)oxy]phenyl]methanone
• [4-(3-fluoro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone
• [4-[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1S)-2,2,2-trifluoro-1-methylethoxy]phenyl]methanone
• [4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

[4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-methylethyl)oxy]phenyl]methanone

CAS: 845614-11-1

Formula: C₂₁H₂₀F₇N₃O₄S

Purity: 99%

Color and Shape: Solid

Molecular weight: 543.4550

Ref: IN-DA00G3NV

Bitopertin

CAS: 845614-11-1

Bitopertin

Purity: ≥98%

Molecular weight: 543.46g/mol

Ref: 54-BUP10082

Bitopertin

CAS: 845614-11-1

Bitopertin (Paliflutine) (RG1678, RO-4917838) is a potent inhibitor of glycine transporter 1 (GlyT1), with Ki of 8.1 nM for human hGlyT1b and IC50 of 22-25 nM

Formula: C₂₁H₂₀F₇N₃O₄S

Purity: 98.57% - 98.71%

Color and Shape: Solid

Molecular weight: 543.46

Ref: TM-T6788