(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-6-(2-methylpropyl)-2,5-piperazinedione | 821779-88-8

• 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: (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-6-(2-methylpropyl)-2,5-piperazinedione
• 英文别名: (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]-6-(2-methylpropyl)piperazine-2,5-dione
• CAS: 821779-88-8
• 化学式: C₂₇H₃₄N₄O₅
• 分子量: 494.591
• InChiKey: CDBUNSHQNIFGRK-WXFUMESZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  吗啉 、 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 (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-6-(2-methylpropyl)-2,5-piperazinedione 、
  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 receptor antagonists
  申请人：Borthwick David Alan

  公开号：US20070185162A1

  公开（公告）日：2007-08-09

  Compounds of formula (I) wherein R 1 is 2-indanyl, R 2 is 1-ethylpropyl, R 3 is a heterocyclic group optionally substituted by one or more C 1-6 alkyl groups, R 4 represents methyl and R 5 represents hydrogen or methyl and pharmaceutically acceptable derivatives thereof are described, as are processes for their preparation, pharmaceutical compositions containing them and their use in medicine, particularly their use as oxytocin antagonists.

  本文描述了公式(I)的化合物，其中R1为2-吲哚基，R2为1-乙基丙基，R3为杂环基，可以选用一个或多个C1-6烷基进行取代，R4代表甲基，R5代表氢或甲基，以及其在医学上的用途，特别是作为催产素拮抗剂。同时还描述了它们的制备方法、含有它们的制药组合物及其在医学上的应用。
• 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