2-[3-(Tetrazol-2-yl)propyl]isoindole-1,3-dione | 1011718-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[3-(Tetrazol-2-yl)propyl]isoindole-1,3-dione
• CAS: 1011718-72-1
• 化学式: C₁₂H₁₁N₅O₂
• 分子量: 257.252
• InChiKey: MKYCRCAXAGTNTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[3-(Tetrazol-2-yl)propyl]isoindole-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以83%的产率得到3-(2H-tetrazol-2-yl)propan-1-amine
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102
• 作为产物：
  描述：

  N-(3-溴丙基)苯二胺 、 2H-tetrazole 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以47%的产率得到2-[3-(Tetrazol-2-yl)propyl]isoindole-1,3-dione
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102