(2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[2-(5-hydroxymethyl-1,3,4-oxadiazol-2-yl)benzo[b]furan-4-yloxy]propan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[2-(5-hydroxymethyl-1,3,4-oxadiazol-2-yl)benzo[b]furan-4-yloxy]propan-2-ol
• 英文别名: (S)-3-(4-(3,4-dichlorophenyl)pyperidino)-1-(2-(5-hydroxymethyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol；(S)-3-(4-(3,4-dichlorophenyl)piperidino)-1-(2-(5-hydroxymethyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol；(2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-4-yl]oxy]propan-2-ol
• 化学式: C₂₅H₂₅Cl₂N₃O₅
• 分子量: 518.397
• InChiKey: DZTMVPHRRHDFNZ-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (S)-3-(4-(3,4-dichlorophenyl)pyperidino)-1-(2-(5-methoxycarbonyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[2-(5-hydroxymethyl-1,3,4-oxadiazol-2-yl)benzo[b]furan-4-yloxy]propan-2-ol
  参考文献：
  名称：

  PHENOXYPROPYLAMINE COMPOUNDS

  摘要：

  公开号：

  EP1188747B1

文献信息

• Phenoxypropylamine compounds
  申请人：——

  公开号：US20040138227A1

  公开（公告）日：2004-07-15

  The present invention relates to a phenoxypropylamine compound of the formula (I) 1 wherein each symbol is as defined in the specification, an optically active compound thereof or a pharmaceutically acceptable salt thereof and hydrates thereof, which simultaneously show selective affinity for and antagonistic activity against 5-HT 1A receptor, as well as 5-HT reuptake inhibitory activity, and can be used as antidepressants quick in expressing an anti-depressive effect.

  本发明涉及一种公式（I）的苯氧丙胺化合物，其中每个符号如规范中定义的，其光学活性化合物或药学上可接受的盐和水合物，同时表现出对5-HT1A受体的选择性亲和力和拮抗活性，以及5-HT再摄取抑制活性，并可用作快速表达抗抑郁效应的抗抑郁药物。
• USE OF PHENOXYPROPYLAMINE COMPOUNDS TO TREAT DEPRESSION
  申请人：Minerva Neurosciences, Inc.

  公开号：EP2948143B1

  公开（公告）日：2021-05-05
• METHODS OF USE OF PHENOXYPROPYLAMINE COMPOUNDS TO TREAT DEPRESSION
  申请人：MINERVA NEUROSCIENCES, INC.

  公开号：US20140206722A1

  公开（公告）日：2014-07-24

  Disclosed herein are compositions and methods for treating depression using compositions comprising a compound of formula I. Disclosed herein are compositions and methods for treating depression using compositions comprising phenoxypropylamine compounds and derivatives having selective affinity for and antagonistic activity against the 5-HT1A receptor, as well as 5-HT reuptake inhibitory activity. In addition, compositions and methods for treating depression using compositions comprising a compound of formula II are disclosed. Methods of treating or diminishing at least one symptom of depression in a human subject with a composition comprising a compound of the formula (I) or formula (II), or a pharmaceutically acceptable salt, hydrate, or solvate thereof, are also disclosed.
• (2S)-1-[4-(3,4-DICHLOROPHENYL)PIPERIDIN-1-YL]-3-[2-(5-METHYL-1,3,4-OXADIAZOL-2-YL)BENZO[B]FURAN-4-YLOXY] PROPAN-2-OL OR ITS METABOLITE FOR TREATING ANXIETY DISORDERS
  申请人：Minerva Neurosciences, Inc.

  公开号：US20190183874A1

  公开（公告）日：2019-06-20

  The present disclosure describes compositions and methods for treating at least one symptom of an anxiety disorder in a human subject. The compositions and methods employ a therapeutically effective amount of a compound of formula I (Compound I) or formula II (Compound II), or a pharmaceutically acceptable salt, hydrate or solvate of Compound I or II:
• US7196199B2
  申请人：——

  公开号：US7196199B2

  公开（公告）日：2007-03-27