2-chloro-4-[(4-chlorophenyl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one | 1079651-95-8

• 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: 2-chloro-4-[(4-chlorophenyl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
• CAS: 1079651-95-8
• 化学式: C₁₆H₁₆Cl₂N₄O
• 分子量: 351.235
• InChiKey: UEZSSDYLMRDDAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  58.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-甲烷磺酰哌嗪 、 2-chloro-4-[(4-chlorophenyl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one 以 正丁醇 为溶剂， 生成 2-(4-acetyl-piperazin-1-yl)-4-(4-chloro-benzylamino)-6-isopropyl-5,6-dihydro-pyrrolo[3,4-d]-pyrimidin-7-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
• 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 为溶剂， 生成 2-chloro-4-[(4-chlorophenyl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-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。