2-(piperidin-4-yloxy)isoindoline-1,3-dione hydrochloride | 143796-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(piperidin-4-yloxy)isoindoline-1,3-dione hydrochloride
• 英文别名: 2-piperidin-4-yloxyisoindole-1,3-dione;hydrochloride
• CAS: 143796-93-4
• 化学式: C₁₃H₁₄N₂O₃*ClH
• 分子量: 282.727
• InChiKey: ZGDVWJBLRSKOPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(piperidin-4-yloxy)isoindoline-1,3-dione hydrochloride 在 N,N-二异丙基乙胺 、 肼 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 生成 O-(1-(4-(trifluoromethoxy)phenylsulfonyl)piperidin-4-yl)hydroxylamine
  参考文献：
  名称：

  WO2008/150470

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 4-(1,3-dioxoisoindolin-2-yl)oxypiperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以94%的产率得到2-(piperidin-4-yloxy)isoindoline-1,3-dione hydrochloride
  参考文献：
  名称：

  WO2008/150470

  摘要：

  公开号：

文献信息

• [EN] QUINAZOLINEDIONES AND THEIR USE<br/>[FR] QUINAZOLINEDIONES ET LEUR UTILISATION
  申请人：ETERNITY BIOSCIENCE INC

  公开号：WO2012125521A1

  公开（公告）日：2012-09-20

  The present invention discloses compounds of formula (I), or pharmaceutically acceptable salts or prodrugs thereof, which inhibit the poly(ADP-ribose) polymerases (PARP) and therefore are useful for treating diseases, disorders, and conditions related to PARP. The present invention also discloses pharmaceutical compositions comprising a compound of formula (I), and methods of using such compounds to inhibit PARP enzymes, and to treat diseases, disorders, and conditions related to PARP.

  本发明公开了式(I)的化合物，或其药学上可接受的盐或前药，其抑制多聚(ADP-核糖)聚合酶(PARP)，因此对于治疗与PARP相关的疾病、紊乱和症状是有用的。本发明还公开了包括式(I)的化合物的药物组合物，以及使用这种化合物抑制PARP酶，并治疗与PARP相关的疾病、紊乱和症状的方法。
• [EN] OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF<br/>[FR] COMPOSÉS OXYCARBAMOYLE ET LEUR UTILISATION
  申请人：SHIONOGI & CO

  公开号：WO2009151152A1

  公开（公告）日：2009-12-17

  The invention relates to oxycarbamoyl compounds of Formula I: The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockadeof calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  这项发明涉及到化合物的氧羰基化合物的化学式I：该发明还涉及使用化合物的化学式I来治疗、预防或改善对钙通道阻滞有反应的疾病，尤其是N-型钙通道。本发明的化合物特别适用于治疗疼痛。
• OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF
  申请人：Mikamiyama Hidenori

  公开号：US20110098276A1

  公开（公告）日：2011-04-28

  The invention relates to oxycarbamoyl compounds of Formula I: The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及式I的氧化氨基甲酰化合物：本发明还涉及使用式I的化合物来治疗、预防或改善对钙通道阻滞有反应的疾病，尤其是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• OXYIMINO COMPOUNDS AND THE USE THEREOF
  申请人：Masui Moriyasu

  公开号：US20100240703A1

  公开（公告）日：2010-09-23

  The invention relates to oxyimino compounds of (Formula I), and pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein: Y is CO or SO m ; Z is hydrogen, each optionally substituted lower alkyl, lower alkenyl, aryl, heterocyclyl etc. R 1 and R 2 are each independently hydrogen, each optionally substituted lower alkyl, lower alkenyl, cycloalkyl, aryl, heterocyclyl etc., each X is independently ═O, optionally substituted lower alkyl, cyano, nitro etc., m is 1 or 2, p is O, 1 or 2 and q is O or 1. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式I的氧亚胺化合物及其药学上可接受的盐、前药和溶剂化合物，其中：Y为CO或SOm；Z为氢、每个可选择的取代较低的烷基、较低的烯基、芳香基、杂环基等。R1和R2分别独立地为氢、每个可选择的取代较低的烷基、较低的烯基、环烷基、芳香基、杂环基等，每个X独立地为═O、可选择的取代较低的烷基、氰基、硝基等，m为1或2，p为O、1或2，q为O或1。本发明还涉及使用公式I的化合物来治疗、预防或缓解对钙通道阻滞有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• Oxyimino compounds and the use thereof
  申请人：Masui Moriyasu

  公开号：US08563732B2

  公开（公告）日：2013-10-22

  The invention relates to oxyimino compounds of (Formula I), and pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein: Y is CO or SOm; Z is hydrogen, each optionally substituted lower alkyl, lower alkenyl, aryl, heterocyclyl etc. R1 and R2 are each independently hydrogen, each optionally substituted lower alkyl, lower alkenyl, cycloalkyl, aryl, heterocyclyl etc., each X is independently ═O, optionally substituted lower alkyl, cyano, nitro etc., m is 1 or 2, p is O, 1 or 2 and q is O or 1. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式（I）的氧肟化合物，以及其药学上可接受的盐，前药和溶剂化物，其中：Y为CO或SOm; Z为氢，每个可以选择性地替换较低的烷基，较低的烯基，芳基，杂环基等。R1和R2各自独立地为氢，每个可以选择性地替换较低的烷基，较低的烯基，环烷基，芳基，杂环基等。每个X独立地为═O，可以选择性地替换较低的烷基，氰基，硝基等。m为1或2，p为O，1或2，q为O或1。本发明还涉及使用公式I的化合物来治疗，预防或改善对钙通道阻滞有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。