| 1213232-44-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1213232-44-0
• 化学式: C₄₂H₄₆FNO₁₂
• 分子量: 775.825
• InChiKey: GRTCYQLJADUJPE-SKCBQTCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  56.0
• 可旋转键数：
  17.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  139.21
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 tris(triphenylphosphine)rhodium(l) chloride 作用下， 以 乙醇 、 甲苯 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Design and synthesis of indole derivatives of adenophostin A. A entry into subtype-selective IP3 receptor ligands

  摘要：

  Indole derivatives 3a and 3b of adenophostin A (2) in which the adenine of 2 was replaced with indole or 4-fluoroindole was designed as potential inositol trisphosphate receptor ligands. These target compounds were successfully synthesized from the key disaccharide unit 6. Biological evaluation showed that 3b selectively activates IP(3)R1, a subtype of IP3 receptors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.045
• 作为产物：
  描述：

  在 manganese(IV) oxide 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of indole derivatives of adenophostin A. A entry into subtype-selective IP3 receptor ligands

  摘要：

  Indole derivatives 3a and 3b of adenophostin A (2) in which the adenine of 2 was replaced with indole or 4-fluoroindole was designed as potential inositol trisphosphate receptor ligands. These target compounds were successfully synthesized from the key disaccharide unit 6. Biological evaluation showed that 3b selectively activates IP(3)R1, a subtype of IP3 receptors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.045