(2S)-N-(2-hydroxy-2-phenylethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-N-(2-hydroxy-2-phenylethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
• 化学式: C₂₇H₂₇N₃O₄
• 分子量: 457.5
• InChiKey: MLMDRTCOOJIVBB-SKCDSABHSA-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：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  91.2
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Pharmaceutically active pyrrolidine derivatives
  申请人：Halazy Serge

  公开号：US20080167318A1

  公开（公告）日：2008-07-10

  The present invention is related to pyrrolidine derivatives of formula I. Said compounds are preferably for use as pharmaceutically active compounds. Specifically, pyrrolidine derivatives of formula I are useful in the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to pyrrolidine derivatives displaying a substantial modulatory, notably an antagonist activity of the oxytocin receptor. More preferably, said compounds are useful in the treatment and/or prevention of disease states mediated by oxytocin, including premature labor, premature birth and dysmenorrhea. The present invention is furthermore related to novel pyrrolidine derivatives as well as to methods of their preparation. wherein X is selected from the group consisting of CR 6 R 7 , NOR 6 , NNR 6 R 7 ; A is selected from the group consisting of —(C═O)—, —(C═O)—O—, —C(═NH)—, —(C═O)—NH—, —(C═S)—NH, —SO 2 —, —SO 2 NH—, —CH 2 —, B is either a group —C═O)—NR 8 R 9 or represents a heterocyclic residue having the formula wherein Q is NR 10 , O or S; n is an integer selected of 0, 1 or 2; Y, Z and E form together with the 2 carbons to which they are attached a 5-6 membered aryl or heteroaryl ring.

  本发明涉及式I的吡咯烷衍生物。所述化合物优选用作药物活性化合物。具体而言，式I的吡咯烷衍生物在治疗和/或预防早产、早产和痛经方面是有用的。特别地，本发明涉及显示 oxytocin 受体实质调节作用，特别是拮抗剂活性的吡咯烷衍生物。更优选地，所述化合物在治疗和/或预防由 oxytocin 介导的疾病状态，包括早产、早产和痛经方面是有用的。本发明还涉及新的吡咯烷衍生物以及其制备方法。其中，X选自CR6R7、NOR6、NNR6R7组成的群；A选自—(C═O)—、—(C═O)—O—、—C(═NH)—、—(C═O)—NH—、—(C═S)—NH、—SO2—、—SO2NH—、—CH2—组成的群；B是一个—C═O)—NR8R9或表示为具有式的杂环残基 其中Q是NR10、O或S；n是选择为0、1或2的整数；Y、Z和E与它们附着的2个碳原子一起形成一个5-6元杂芳基或杂环芳基环。
• PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1268419B1

  公开（公告）日：2006-06-21
• US7211601B2
  申请人：——

  公开号：US7211601B2

  公开（公告）日：2007-05-01