Name: Bitopertin (R enantiomer)
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212671063
Cas No:845614-12-2
常用名:Bitopertin (R enantiomer)
别名:RO4917838 (R enantiomer), RG1678 (R enantiomer), Bitopertin R enantiomer
别名:RO4917838 (R enantiomer), RG1678 (R enantiomer), Bitopertin R enantiomer
IUPAC:1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
IUPAC:1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
InChI key:YUUGYIUSCYNSQR-GFCCVEGCSA-N

分子式:C21H20F7N3O4S
分子量:543.46
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:3.461122
SMILES:C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
SMILES:C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F

Bitopertin R enantiomer (RG1678 R enantiomer) is the R-enantiomer of Bitopertin. Bitopertin is a noncompetitive glycine reuptake inhibitor and inhibits glycine uptake at human GlyT1 (IC50: 25 nM).

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