2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-{3-fluoro-4-[(triisopropylsilyl)oxy]phenyl}ethanone | 850141-93-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-{3-fluoro-4-[(triisopropylsilyl)oxy]phenyl}ethanone
• 英文别名: 2-[4-(3,4-Dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-[3-fluoro-4-[(triisopropylsilyl)oxy]phenyl}ethanone；2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-[3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
• CAS: 850141-93-4
• 化学式: C₃₁H₄₄FNO₄Si
• 分子量: 541.779
• InChiKey: PLDVVBXLSTUTIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-(3-fluoro-4-hydroxyphenyl)ethanone 、 三异丙基氯硅烷 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-{3-fluoro-4-[(triisopropylsilyl)oxy]phenyl}ethanone
  参考文献：
  名称：

  [EN] 1-'2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS
  [FR] COMPOSES DE 1-[2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL EN TANT QU'ANTAGONISTES DU RECEPTEUR DU NMDA

  摘要：

  本发明提供了式(I)的化合物，其中R1和R2分别表示氢原子或类似物；R3表示具有6至10个环碳或类似物的芳基基团；所述芳基基团具有6至10个环碳原子和所述杂环芳基基团具有5至10个原子，未经取代或通过从取代基a的群组中选择至少一种取代基而被取代；所述取代基a被选择自卤素原子或类似物的群组；或该化合物的药学上可接受的酯或其药学上可接受的盐。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病条件，如疼痛等在哺乳动物中很有用。本发明还提供了包含上述化合物的药物组合物。

  公开号：

  WO2005035522A1

文献信息

• 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists
  申请人：Ando Kazuo

  公开号：US20070021414A1

  公开（公告）日：2007-01-25

  This invention provides a compound of the formula (I), wherein R 1 and R 2 independently represents a hydrogen atom or the like; R 3 represents an aryl group having from 6 to 10 ring carbon or the like; said aryl groups having from 6 to 10 ring carbon atoms and said heteroaryl groups having from 5 to 10 atoms are unsubstituted or are substituted by at least one substituent selected from the group consisting of substituents a; said substituents a are selected from the group consisting of halogen atoms or the like; or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of NMDA NR2B receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式(I)的化合物，其中R1和R2独立地表示氢原子或类似物；R3表示具有6至10个环碳或类似物的芳基基团；所述芳基基团具有6至10个环碳原子，所述杂环芳基基团具有5至10个原子，未被取代或被至少一种选择自取代物a的取代基组成的取代；所述取代基a是从卤原子或类似物的组中选择的；或其药学上可接受的酯或药学上可接受的盐。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病状态如疼痛等在哺乳动物中具有用处。本发明还提供了包括上述化合物的制药组合物。
• [EN] 1-'2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS<br/>[FR] COMPOSES DE 1-[2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL EN TANT QU'ANTAGONISTES DU RECEPTEUR DU NMDA
  申请人：PFIZER JAPAN INC

  公开号：WO2005035522A1

  公开（公告）日：2005-04-21

  This invention provides a compound of the formula (I), wherein R1 and R2 independently represents a hydrogen atom or the like; R3 represents an aryl group having from 6 to 10 ring carbon or the like; said aryl groups having from 6 to 10 ring carbon atoms and said heteroaryl groups having from 5 to 10 atoms are unsubstituted or are substituted by at least one substituent selected from the group consisting of substituents a; said substituents a are selected from the group consisting of halogen atoms or the like; or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of NMDA NR2B receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式(I)的化合物，其中R1和R2分别表示氢原子或类似物；R3表示具有6至10个环碳或类似物的芳基基团；所述芳基基团具有6至10个环碳原子和所述杂环芳基基团具有5至10个原子，未经取代或通过从取代基a的群组中选择至少一种取代基而被取代；所述取代基a被选择自卤素原子或类似物的群组；或该化合物的药学上可接受的酯或其药学上可接受的盐。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病条件，如疼痛等在哺乳动物中很有用。本发明还提供了包含上述化合物的药物组合物。