2-(2, 6-difluorophenoxy)-n-(2-fluorophenyl) - 9-isopropyl-9h-purin-8-amine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2, 6-difluorophenoxy)-n-(2-fluorophenyl) - 9-isopropyl-9h-purin-8-amine
• 英文别名: 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine；2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-propan-2-ylpurin-8-amine
• 化学式: C₂₀H₁₆F₃N₅O
• 分子量: 399.375
• InChiKey: OGWSGDLIXOEZJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-二氟苯酚 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 33.0h， 生成 2-(2, 6-difluorophenoxy)-n-(2-fluorophenyl) - 9-isopropyl-9h-purin-8-amine
  参考文献：
  名称：

  The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-α production

  摘要：

  A series of C-2, C-8, and N-9 trisubstituted purine based inhibitors of TNF-alpha production are described. The most potent analogs showed low nanomolar activity against LPS-induced TNF-alpha production in a THP-1 cell based assay. The SAR of the series was optimized with the aid of X-ray co-crystal structures of these inhibitors bound with mutated p38 (mp38).

  DOI：

  10.1016/j.bmcl.2006.05.050

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.