6-(Cyclohexylamino)-9-[2-(4-methylpiperazin-1-YL)-ethyl]-9H-purine-2-carbonitrile

• 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: 6-(Cyclohexylamino)-9-[2-(4-methylpiperazin-1-YL)-ethyl]-9H-purine-2-carbonitrile
• 英文别名: 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]purine-2-carbonitrile
• 化学式: C₁₉H₂₈N₈
• 分子量: 368.485
• InChiKey: OGODDSLNRULSMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  85.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-chloro-N-cyclohexyl-9H-purin-6-amine 在 2,4-滴二甲胺盐 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 6-(Cyclohexylamino)-9-[2-(4-methylpiperazin-1-YL)-ethyl]-9H-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

文献信息

• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• Novel Purine Nitrile Derived Inhibitors of the Cysteine Protease Cathepsin K
  作者：Eva Altmann、Sandra W. Cowan-Jacob、Martin Missbach

  DOI：10.1021/jm0493111

  日期：2004.11.1

  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.