(S)-1-(4-(3,4-dichlorophenyl)piperidino)-3-(2-(5-methyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol | 310392-94-0

• 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: (S)-1-(4-(3,4-dichlorophenyl)piperidino)-3-(2-(5-methyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol
• 英文别名: MIN-117 free base；(2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
• CAS: 310392-94-0
• 化学式: C₂₅H₂₅Cl₂N₃O₄
• 分子量: 502.397
• InChiKey: XIYDIPLATGRHEC-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  84.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-1-(4-(3,4-dichlorophenyl)piperidino)-3-(2-(5-methyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol 在 盐酸 、 乙酸酐 作用下， 以 吡啶 、 乙醇 为溶剂， 生成 (S)-2-(4-(2-acetoxy-3-(4-(3,4-dichlorophenyl)piperidino) propyloxy)benzo(b)furan-2-yl)-5-methyl-1,3,4-oxadiazole hydrochloride
  参考文献：
  名称：

  Phenoxypropylamine compounds

  摘要：

  本发明涉及一种公式（I）中的苯氧丙胺化合物： 1 其中每个符号如说明书中所定义，其光学活性化合物或其药物可接受的盐及水合物，同时显示出对5-HT 1A 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，并且可以用作快速表达抗抑郁效果的抗抑郁药。

  公开号：

  US20020111358A1
• 作为产物：
  描述：

  (S)-2-(4-glycidyloxybenzo(b)furan-2-yl)-5-methyl-1,3,4-oxadiazole 、 4-(3,4-二氯苯基)-哌啶盐酸盐 生成 (S)-1-(4-(3,4-dichlorophenyl)piperidino)-3-(2-(5-methyl-1,3,4-oxadiazol-2-yl)benzo(b)furan-4-yloxy)-2-propanol
  参考文献：
  名称：

  PHENOXYPROPYLAMINE COMPOUNDS

  摘要：

  公开号：

  EP1188747B1

文献信息

• METHODS OF USING A PHENOXYPROPYLAMINE COMPOUND TO TREAT PAIN
  申请人：Minerva Neurosciences, Inc.

  公开号：EP3846812A2

  公开（公告）日：2021-07-14
• 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:
• US6720320B2
  申请人：——

  公开号：US6720320B2

  公开（公告）日：2004-04-13
• US7196199B2
  申请人：——

  公开号：US7196199B2

  公开（公告）日：2007-03-27