N-[phenyl-(1-pyrrolidin-1-yl-cyclobutyl)-methyl]-2-trifluoromethyl-benzamide | 1208984-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[phenyl-(1-pyrrolidin-1-yl-cyclobutyl)-methyl]-2-trifluoromethyl-benzamide
• 英文别名: N-[phenyl-(1-pyrrolidin-1-ylcyclobutyl)methyl]-2-(trifluoromethyl)benzamide
• CAS: 1208984-14-8
• 化学式: C₂₃H₂₅F₃N₂O
• 分子量: 402.46
• InChiKey: WOHIDSVADVQYNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• GlyT1 RECEPTOR ANTAGONISTS
  申请人：Kolczewski Sabine

  公开号：US20100048531A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound of formula I wherein R 1 , R 2 , X, Ar 1 and Ar 2 are as defined herein and to pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to their corresponding enantiomers and/or optical isomers thereof. Compounds of the invention are good inhibitors of the glycine transporter 1 (GlyT-1), and have a good selectivity to glycine transporter 2 (GlyT-2) inhibitors.

  本发明涉及一种具有式I的化合物 其中 R 1 ，R 2 ，X，Ar 1 和Ar 2 如本文所定义，并且涉及药学上可接受的酸盐加合物，外消旋混合物，或其相应的对映体和/或光学异构体。本发明的化合物是甘氨酸转运蛋白1（GlyT-1）的良好抑制剂，并且对甘氨酸转运蛋白2（GlyT-2）抑制剂具有良好的选择性。
• US8063098B2
  申请人：——

  公开号：US8063098B2

  公开（公告）日：2011-11-22
• [EN] GLYT1 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE GLYT1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010020548A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound of the general formula (I) wherein R1/R2 are independently from each other lower alkyl, or form together with the N-atom to which they are attached a heterocyclic group, selected from pyrrolidine, piperidine, piperazine, 4-methyl-piperazine, 4-cyclopropyl-piperazine, thiomorpholine, morpholine, 1-(3-oxa-8-aza- bicyclo[3.2.1]oct-8-yl or 1-(2-oxa-6-aza-spiro[3.3]hept-6-yl; X is a bond, -CH2- or -O-; Ar1 is aryl or heteroaryl, which are unsubstituted or substituted by one or two substituents selected from halogen, lower alkyl, lower alkoxy, or lower alkyl substituted by halogen; Ar2 is aryl or heteroaryl, which are unsubstituted or substituted by one, two or three substituents selected from halogen, lower alkyl, lower alkoxy, hydroxy, lower alkyl substituted by halogen, lower alkoxy substituted by halogen, S-lower alkyl, benzyl or phenyl; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to their corresponding enantiomers and/or optical isomers thereof. It has surprisingly been found that the compounds of general formula (I) are good inhibitors of the glycine transporter 1 (GIyT-1), and that they have a good selectivity to glycine transporter 2 (GlyT-2) inhibitors.