7-(2,2-dimethyl-propyl)-6-[2-(2-hydroxy-ethyl)-1,3-dioxo-2,8-diaza-spiro[4.5]dec-8-ylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 7-(2,2-dimethyl-propyl)-6-[2-(2-hydroxy-ethyl)-1,3-dioxo-2,8-diaza-spiro[4.5]dec-8-ylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
• 英文别名: 7-(2,2-dimethylpropyl)-6-[[2-(2-hydroxyethyl)-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
• 化学式: C₂₃H₃₀N₆O₃
• 分子量: 438.53
• InChiKey: BISBNDIZTYFFHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile 、 2-(2-hydroxy-ethyl)-2,8-diaza-spiro[4.5]decane-1,3-dione hydrochloride 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 12.0h， 以27%的产率得到7-(2,2-dimethyl-propyl)-6-[2-(2-hydroxy-ethyl)-1,3-dioxo-2,8-diaza-spiro[4.5]dec-8-ylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
  参考文献：
  名称：

  [EN] SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES
  [FR] PYRROLOPYRIMIDINES SPIRO-SUBSTITUEES

  摘要：

  该发明提供了式（I）的化合物或其药用可接受的盐或酯的公式（I），其中符号的含义如描述中所定义。所述化合物是猫hepsin K和/或猫hepsin S的抑制剂，并且对于治疗猫hepsin K和/或猫hepsin S参与的疾病和医疗状况是有用的，例如各种疾病，包括神经病痛、炎症、类风湿性关节炎、骨关节炎、骨质疏松症、多发性硬化和肿瘤。

  公开号：

  WO2004076455A1

文献信息

• Spiro-substituted pyrrologyrimidines
  申请人：Irie Osamu

  公开号：US20060258690A1

  公开（公告）日：2006-11-16

  The invention provides compounds of formula (I) or a pharmaceutically acceptable salt or ester thereof formula (I) wherein the symbols have the meaning as defined in the description. Said compounds are inhibitors of cathepsin K and/or cathepsin S and are useful for the treatment of diseases and medical conditions in which cathepsin K and/or cathepsin S is implicated, e.g. various disorders including neuropathic pain, inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis, multiple sclerosis and tumours.

  本发明提供了公式（I）的化合物，或其药学上可接受的盐或酯，其中符号的含义如描述中所定义。所述化合物是猫hepsin K和/或猫hepsin S的抑制剂，可用于治疗与猫hepsin K和/或猫hepsin S有关的疾病和医学情况，例如各种紊乱，包括神经病理性疼痛、炎症、类风湿性关节炎、骨关节炎、骨质疏松症、多发性硬化和肿瘤。
• SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES
  申请人：Irie Osamu

  公开号：US20090186889A1

  公开（公告）日：2009-07-23

  The invention provides compounds of formula I or a pharmaceutically acceptable salt or ester thereof formula I wherein the symbols have the meaning as defined in the description. Said compounds are inhibitors of cathepsin K and/or cathepsin S and are useful for the treatment of diseases and medical conditions in which cathepsin K and or cathepsin S is implicated, e.g. various disorders including neuropathic pain, inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis, multiple sclerosis and tumours.

  该发明提供了I式化合物或其药学上可接受的盐或酯，其中符号的含义如描述中所定义。所述化合物是cathepsin K和/或cathepsin S的抑制剂，可用于治疗与cathepsin K和/或cathepsin S有关的疾病和医疗条件，例如各种紊乱，包括神经病性疼痛、炎症、类风湿性关节炎、骨关节炎、骨质疏松症、多发性硬化症和肿瘤。
• US7531546B2
  申请人：——

  公开号：US7531546B2

  公开（公告）日：2009-05-12
• [EN] SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES<br/>[FR] PYRROLOPYRIMIDINES SPIRO-SUBSTITUEES
  申请人：NOVARTIS AG

  公开号：WO2004076455A1

  公开（公告）日：2004-09-10

  The invention provides compounds of formula (I) or a pharmaceutically acceptable salt or ester thereof formula (I) wherein the symbols have the meaning as defined in the description. Said compounds are inhibitors of cathepsin K and/or cathepsin S and are useful for the treatment of diseases and medical conditions in which cathepsin K and/or cathepsin S is implicated, e.g. various disorders including neuropathic pain, inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis, multiple sclerosis and tumours.

  该发明提供了式（I）的化合物或其药用可接受的盐或酯的公式（I），其中符号的含义如描述中所定义。所述化合物是猫hepsin K和/或猫hepsin S的抑制剂，并且对于治疗猫hepsin K和/或猫hepsin S参与的疾病和医疗状况是有用的，例如各种疾病，包括神经病痛、炎症、类风湿性关节炎、骨关节炎、骨质疏松症、多发性硬化和肿瘤。