(2-chloro-9-cyclopentyl-purin-6-yl)-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}amine | 669003-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (2-chloro-9-cyclopentyl-purin-6-yl)-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}amine
• 英文别名: (2-Chloro-9-cyclopentyl-purin-6-yl)-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-amine；2-chloro-9-cyclopentyl-N-[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]purin-6-amine
• CAS: 669003-76-3
• 化学式: C₂₄H₃₂ClN₇O
• 分子量: 470.017
• InChiKey: BJAIQWMWKAQXCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  71.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  氰化钠 、 (2-chloro-9-cyclopentyl-purin-6-yl)-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}amine 在 2,4-滴二甲胺盐 作用下， 生成 9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-purine-2-carbonitrile
  参考文献：
  名称：

  Novel Purine Nitrile Derived Inhibitors of the Cysteine Protease Cathepsin K

  摘要：

  Starting from the high-throughput screening hit la, novel cathepsin K inhibitors have been developed based on a purine scaffold. High-resolution X-ray structures of several derivatives have revealed the binding mode of these unique cysteine protease inhibitors.

  DOI：

  10.1021/jm0493111
• 作为产物：
  描述：

  溴代环戊烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2-chloro-9-cyclopentyl-purin-6-yl)-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}amine
  参考文献：
  名称：

  Novel Purine Nitrile Derived Inhibitors of the Cysteine Protease Cathepsin K

  摘要：

  Starting from the high-throughput screening hit la, novel cathepsin K inhibitors have been developed based on a purine scaffold. High-resolution X-ray structures of several derivatives have revealed the binding mode of these unique cysteine protease inhibitors.

  DOI：

  10.1021/jm0493111

文献信息

• [EN] HETEREOARYL NITRILE DERIVATIVES<br/>[FR] DERIVES D'HETEREOARYLE NITRILE
  申请人：NOVARTIS AG

  公开号：WO2004020441A1

  公开（公告）日：2004-03-11

  The invention provides compounds of Formula (I) or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  该发明提供了式（I）的化合物或其药用可接受的盐或酯，其中符号的含义如定义，这些化合物是卡特普辛K的抑制剂，并在药学上用于治疗卡特普辛K参与的疾病和医疗状况，例如各种疾病，包括炎症、类风湿关节炎、骨关节炎、骨质疏松症和肿瘤。
• Hetereoaryl nitrile derivatives
  申请人：Altmann Eva

  公开号：US20060142575A1

  公开（公告）日：2006-06-29

  The invention provides compounds of Formula (I) or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  本发明提供了式（I）的化合物或其药学上可接受的盐或酯，其中符号的含义如定义所述，这些化合物是猫hepsin K的抑制剂，并且在药学上用于治疗与猫hepsin K有关的疾病和医疗状况，例如各种疾病，包括炎症，类风湿性关节炎，骨关节炎，骨质疏松症和肿瘤。
• HETEROARYL NITRILE DERIVATIVES
  申请人：Altmann Eva

  公开号：US20090227596A1

  公开（公告）日：2009-09-10

  The invention provides compounds of formula I or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  本发明提供公式I的化合物或其药学上可接受的盐或酯，其中符号的含义如定义所述，这些化合物是卡他普星K的抑制剂，并且在药学上用于治疗与卡他普星K有关的疾病和医疗状况，例如各种疾病，包括炎症，类风湿性关节炎，骨关节炎，骨质疏松和肿瘤。
• Heteroaryl nitrile derivatives
  申请人：Novartis AG

  公开号：US07820818B2

  公开（公告）日：2010-10-26

  The invention provides compounds of formula I or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  该发明提供公式I的化合物或其药学上可接受的盐或酯，其中符号的含义如定义所述，它们是猫蛋白酶K的抑制剂，并在药学上用于治疗猫蛋白酶K参与的疾病和医疗情况，例如各种疾病，包括炎症，类风湿性关节炎，骨关节炎，骨质疏松症和肿瘤。
• HETEREOARYL NITRILE DERIVATIVES
  申请人：Novartis AG

  公开号：EP1537111A1

  公开（公告）日：2005-06-08