1-[5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-4-ylmethyl]-1,2,3,4-tetrahydro-quinoline | 1027798-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-[5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-4-ylmethyl]-1,2,3,4-tetrahydro-quinoline
• 英文别名: 1-[5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-4-ylmethyl]-1,2,3,4-tetrahydroquinoline；2-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-fluoroimidazol-1-yl]methoxy]ethyl-trimethylsilane
• CAS: 1027798-18-0
• 化学式: C₁₉H₂₈FN₃OSi
• 分子量: 361.535
• InChiKey: FFOCPVDAZREJKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-4-ylmethyl]-1,2,3,4-tetrahydro-quinoline 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成 1-(5-fluoro-1H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydro-quinoline
  参考文献：
  名称：

  WO2008/58867

  摘要：

  公开号：
• 作为产物：
  描述：

  1,2,3,4-四氢喹啉 、 5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-4-carbaldehyde 在 zinc(II) chloride sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 26.5h， 生成 1-[5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-4-ylmethyl]-1,2,3,4-tetrahydro-quinoline
  参考文献：
  名称：

  WO2008/58867

  摘要：

  公开号：

文献信息

• SUBSTITUTED 4-IMIDAZOLES
  申请人：Galley Guido

  公开号：US20080139533A1

  公开（公告）日：2008-06-12

  The present invention relates to a compound of formula I, wherein R 1 is selected from the group consisting of hydrogen and lower alkyl; each R 2 is independently selected from the group consisting of hydrogen and lower alkyl; each R 3 is independently selected from the group consisting of hydrogen, lower alkyl, lower alkoxy, phenyloxy, benzyloxy, halogen and lower alkyl substituted by halogen; R 4 is selected from the group consisting of hydrogen and lower alkyl; X is selected from the group consisting of —CH 2 —, —CH— and —O—; Y is selected from the group consisting of —CH 2 —, —CH 2 CH 2 —, —CH— and a bond; with the proviso that, when X is —O—, Y is —CH 2 —; Z is selected from the group consisting of —CH 2 — and —CH—; m is 1 or 2; and n is 1 or 2. The invention relates also to a pharmaceutically-acceptable acid-addition salt of such a compound, methods for making the compound, and a composition comprising such a compound. It has been found that the compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1.

  本发明涉及一种化合物式I，其中R1选自氢和低碳基的群组；每个R2独立地选自氢和低碳基的群组；每个R3独立地选自氢、低碳基、低烷氧基、苯氧基、苄氧基、卤素和被卤素取代的低碳基的群组；R4选自氢和低碳基的群组；X选自—CH2—、—CH—和—O—的群组；Y选自—CH2—、—CH2CH2—、—CH—和键的群组；但当X为—O—时，Y为—CH2—；Z选自—CH2—和—CH—的群组；m为1或2；n为1或2。本发明还涉及该化合物的药学可接受的酸加成盐、制备该化合物的方法和包含该化合物的组合物。已经发现，式I化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。
• Substituted 4-imidazoles
  申请人：Hoffmann-La Roche Inc.

  公开号：US07858652B2

  公开（公告）日：2010-12-28

  The present invention relates to a compound of formula I, wherein R1 is selected from the group consisting of hydrogen and lower alkyl; each R2 is independently selected from the group consisting of hydrogen and lower alkyl; each R3 is independently selected from the group consisting of hydrogen, lower alkyl, lower alkoxy, phenyloxy, benzyloxy, halogen and lower alkyl substituted by halogen; R4 is selected from the group consisting of hydrogen and lower alkyl; X is selected from the group consisting of —CH2—, —CH— and —O—; Y is selected from the group consisting of —CH2—, —CH2CH2—, —CH— and a bond; with the proviso that, when X is —O—, Y is —CH2—; Z is selected from the group consisting of —CH2— and —CH—; m is 1 or 2; and n is 1 or 2. The invention relates also to a pharmaceutically-acceptable acid-addition salt of such a compound, methods for making the compound, and a composition comprising such a compound. It has been found that the compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1.

  本发明涉及一种化合物I，其中R1选自氢和低级烷基组成的群；每个R2独立地选自氢和低级烷基组成的群；每个R3独立地选自氢、低级烷基、低级烷氧基、苯氧基、苄氧基、卤素和被卤素取代的低级烷基组成的群；R4选自氢和低级烷基组成的群；X选自—CH2—、—CH—和—O—组成的群；Y选自—CH2—、—CH2CH2—、—CH—和一个键组成的群；但当X为—O—时，Y为—CH2—；Z选自—CH2—和—CH—组成的群；m为1或2；n为1或2。本发明还涉及这种化合物的药学可接受的酸加成盐、制备该化合物的方法以及包含该化合物的组合物。已经发现，化合物I对追踪胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。
• WO2008/58867
  申请人：——

  公开号：——

  公开（公告）日：——