2-(4-acetylpiperazin-1-yl)-6-isopropyl-4-(2-methoxy-4-(trifluoromethoxy)benzylamino)-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one | 1079657-78-5

• 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: 2-(4-acetylpiperazin-1-yl)-6-isopropyl-4-(2-methoxy-4-(trifluoromethoxy)benzylamino)-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
• 英文别名: 2-(4-acetylpiperazin-1-yl)-4-[[2-methoxy-4-(trifluoromethoxy)phenyl]methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
• CAS: 1079657-78-5
• 化学式: C₂₄H₂₉F₃N₆O₄
• 分子量: 522.527
• InChiKey: BGLNPGCRIGALDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2,4-dihydroxy-6-isopropyl-5,6-dihydro-7H-pyrrolo[3,4-d]pyrimidin-7-one 在 N,N-二异丙基乙胺 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 正丁醇 为溶剂， 生成 2-(4-acetylpiperazin-1-yl)-6-isopropyl-4-(2-methoxy-4-(trifluoromethoxy)benzylamino)-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
  参考文献：
  名称：

  Discovery of P2X3 selective antagonists for the treatment of chronic pain

  摘要：

  Purinergic receptor P2X3 has been linked to analgesia in a number of pre-clinical models of pain, and is expressed in the human pain perception pathway. Only few P2X3-selective antagonists have been reported to date. This Letter describes the SAR and in vivo analgesic profile of a novel scaffold of selective P2X3 antagonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.124

文献信息

• Therapeutic Compounds 570
  申请人：Bayrakdarian Malken

  公开号：US20090099195A1

  公开（公告）日：2009-04-16

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 , R 3 , R 4 , and R 5 and are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  公式I的化合物或其药学上可接受的盐：其中R1、R2、R3、R4和R5如规范中所定义，以及制备包括这些化合物的盐和药物组合物。它们在治疗中有用，特别是在疼痛管理方面。
• PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：AstraZeneca AB

  公开号：EP2155751A1

  公开（公告）日：2010-02-24
• [EN] PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS DE PYRROLOPYRIMIDIN-7-ONE ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2008136756A1

  公开（公告）日：2008-11-13

  [EN] Compounds of formula (I) or pharmaceutically acceptable salts thereof wherein R¹, R², R³, R⁴, and R⁵ and are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.
  [FR] L'invention concerne des composés de formule (I) ou leurs sels pharmaceutiquement acceptables dans laquelle R¹, R², R³, R⁴ et R⁵ sont tels que définis dans le mémoire descriptif et aussi des sels et des compositions pharmaceutiques incluant les composés. Ils sont utiles en thérapie, en particulier dans la gestion de la douleur.
• Discovery of P2X3 selective antagonists for the treatment of chronic pain
  作者：Louis-David Cantin、Malken Bayrakdarian、Christophe Buon、Eric Grazzini、Yun-Jin Hu、Jean Labrecque、Carmen Leung、Xuehong Luo、Giovanni Martino、Michel Paré、Kemal Payza、Nirvana Popovic、Denis Projean、V. Santhakumar、Christopher Walpole、Xiao Hong Yu、Mirosław J. Tomaszewski

  DOI：10.1016/j.bmcl.2012.01.124

  日期：2012.4

  Purinergic receptor P2X3 has been linked to analgesia in a number of pre-clinical models of pain, and is expressed in the human pain perception pathway. Only few P2X3-selective antagonists have been reported to date. This Letter describes the SAR and in vivo analgesic profile of a novel scaffold of selective P2X3 antagonists. (C) 2012 Elsevier Ltd. All rights reserved.