N-(3-Aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide | 627460-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(3-Aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
• CAS: 627460-45-1
• 化学式: C₁₅H₁₆N₄O
• 分子量: 268.318
• InChiKey: CCOJIJBKMLAUTI-UHFFFAOYSA-N

物化性质

• 熔点：
  218-222 °C
• 沸点：
  622.3±45.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  83.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-疏基硫酸脲 、 N-(3-Aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide 在 sodium hydroxide 作用下， 反应 1.0h， 以51.6%的产率得到N-(3-guanidinopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
  参考文献：
  名称：

  Synthesis and biological evaluation of novel β-carboline derivatives as Tat–TAR interaction inhibitors

  摘要：

  Four new beta-carboline derivatives were synthesized bearing guanidinium group or amino group-terminated side chain targeting the TAR element. Compounds 5 and 6 with terminal guanidinium group showed inhibitory activities on Tat-TAR interaction as well as to HIV-1 in MT4 cells. Furthermore, capillary electrophoresis assay implied that compound 6 could not only bind to TAR but also hinder the Tat-TAR interaction. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.022
• 作为产物：
  描述：

  DL-色氨酸 在 氯化亚砜 、 氢气 、 sulfur 作用下， 以 1,4-二氧六环 、 甲醇 、 氯仿 、 xylene 为溶剂， 反应 8.0h， 生成 N-(3-Aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
  参考文献：
  名称：

  Synthesis and biological evaluation of novel β-carboline derivatives as Tat–TAR interaction inhibitors

  摘要：

  Four new beta-carboline derivatives were synthesized bearing guanidinium group or amino group-terminated side chain targeting the TAR element. Compounds 5 and 6 with terminal guanidinium group showed inhibitory activities on Tat-TAR interaction as well as to HIV-1 in MT4 cells. Furthermore, capillary electrophoresis assay implied that compound 6 could not only bind to TAR but also hinder the Tat-TAR interaction. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.022