4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride | 42447-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride
• CAS: 42447-68-7
• 化学式: C₂₅H₁₇FN₆O₄S
• 分子量: 516.5
• InChiKey: PTRUEFPCAGXHGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  169
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Cytokine receptor
  申请人：Varghese Noozhumutry Joseph

  公开号：US20070032640A1

  公开（公告）日：2007-02-08

  A crystalline composition comprising a crystal of the IL-6 receptor I chain is provided. Also provided are methods of using the crystal and related structural information to screen for and design compounds that interact with IL-6R, or variants thereof. Also provided arc methods of modulating an IL-6 receptor comprising contacting the IL-6 receptor with a compound identified by the screening method of the invention.