(R)-2-(2,5-Dimethyl-oxazol-4-yl)-2-((3R,6R)-3-indan-2-yl-6-isobutyl-2,5-dioxo-piperazin-1-yl)-N,N-dimethylacetamide | 554448-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (R)-2-(2,5-Dimethyl-oxazol-4-yl)-2-((3R,6R)-3-indan-2-yl-6-isobutyl-2,5-dioxo-piperazin-1-yl)-N,N-dimethylacetamide
• 英文别名: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(2,5-dimethyl-1,3-oxazol-4-yl)-N,N-dimethylacetamide
• CAS: 554448-55-4
• 化学式: C₂₆H₃₄N₄O₄
• 分子量: 466.58
• InChiKey: OZEDXBDDLMOABL-YMPZKCBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  95.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 二甲胺 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 、 (R)-2-(2,5-Dimethyl-oxazol-4-yl)-2-((3R,6R)-3-indan-2-yl-6-isobutyl-2,5-dioxo-piperazin-1-yl)-N,N-dimethylacetamide
  参考文献：
  名称：

  The discovery of GSK221149A: A potent and selective oxytocin antagonist

  摘要：

  Optimisation of a series of oxazole diketopiperazines has led to the discovery of a very potent and selective oxytocin antagonist GSK221149A. GSK221149A has been shown to inhibit oxytocin-induced uterine contractions in the anaesthetised rat. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.008

文献信息

• Substituted diketopiperazines as oxytocin antagonists
  申请人：Borthwick David Alan

  公开号：US20050148572A1

  公开（公告）日：2005-07-07

  A method of treating or preventing diseases or conditions mediated through the action of oxytocin which comprises administering to a mammal in need thereof of an effective amount of a compound of the formula (I) and/or a physiologically acceptable derivative thereof, wherein the substituents have the meaning given in the description. Disclosed are also novel compounds of formula (I) and processes for their preparation.

  一种通过催产素作用介导治疗或预防疾病或病况的方法，包括向需要的哺乳动物中投予公式（I）化合物和/或其生理上可接受的衍生物的有效量，其中取代基具有描述中所给出的含义。还公开了公式（I）的新化合物及其制备过程。
• SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS
  申请人：Glaxo Group Limited

  公开号：US20130131338A1

  公开（公告）日：2013-05-23

  A method of treating or preventing diseases or conditions mediated through the action of oxytocin which comprises administering to a human in need thereof of an effective amount of a compound of the formula (I) or a pharmaceutically acceptable salt thereof.

  一种通过催产素作用介导治疗或预防疾病或病况的方法，包括向需要治疗的人类施用化合物(I)或其药学上可接受的盐的有效量。
• Substituted Diketopiperazines As Oxytocin Antagonists
  申请人：Borthwick Alan David

  公开号：US20090186867A1

  公开（公告）日：2009-07-23

  A method of treating or preventing diseases or conditions mediated through the action of oxytocin which comprises administering to a human in need thereof of an effective amount of a compound of formula (I) or a pharmaceutically acceptable salt thereof.

  一种治疗或预防通过催产素作用介导的疾病或病症的方法，包括向需要的人类施用化合物(I)或其药学上可接受的盐的有效量。
• US7514437B2
  申请人：——

  公开号：US7514437B2

  公开（公告）日：2009-04-07
• US8367673B2
  申请人：——

  公开号：US8367673B2

  公开（公告）日：2013-02-05