N¹-(3-Amino-propyl)-N¹-(3-phenyl-propyl)-butane-1,4-diamine | 335299-08-6

• 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: N¹-(3-Amino-propyl)-N¹-(3-phenyl-propyl)-butane-1,4-diamine
• 英文别名: N1-(3-aminopropyl)-N1-(3-phenylpropyl)butane-1,4-diamine；N'-(3-aminopropyl)-N'-(3-phenylpropyl)butane-1,4-diamine
• CAS: 335299-08-6
• 化学式: C₁₆H₂₉N₃
• 分子量: 263.426
• InChiKey: QWFCKPIYVHJNER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  55.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯丙醛 、 N¹-(3-Amino-propyl)-N¹-(3-phenyl-propyl)-butane-1,4-diamine 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 N¹-(3-Phenyl-propyl)-N¹-[3-(3-phenyl-propylamino)-propyl]-butane-1,4-diamine 、 N-(3-Amino-propyl)-N,N'-bis-(3-phenyl-propyl)-butane-1,4-diamine 、 N,N'-Bis-(3-phenyl-propyl)-N-[3-(3-phenyl-propylamino)-propyl]-butane-1,4-diamine
  参考文献：
  名称：

  Polyamines with N -(3-phenylpropyl) substituents are effective competitive inhibitors of trypanothione reductase and trypanocidal agents

  摘要：

  Several N-(3-phenylpropyl)-substituted spermidine and spermine derivatives were prepared and found to be potent competitive inhibitors of Trypanosoma cruzi trypanothione reductase (seven compounds with K-i values < 5 M are described). The most effective inhibitor studied was compound 12 with a K-i value of 0.151 muM. Six of the compounds described are also effective trypanocides with IC50 values <1 M. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00643-0
• 作为产物：
  描述：

  1-溴-3-苯基丙烷 在 甲醇 、 ammonium hydroxide 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 N¹-(3-Amino-propyl)-N¹-(3-phenyl-propyl)-butane-1,4-diamine
  参考文献：
  名称：

  Polyamines with N -(3-phenylpropyl) substituents are effective competitive inhibitors of trypanothione reductase and trypanocidal agents

  摘要：

  Several N-(3-phenylpropyl)-substituted spermidine and spermine derivatives were prepared and found to be potent competitive inhibitors of Trypanosoma cruzi trypanothione reductase (seven compounds with K-i values < 5 M are described). The most effective inhibitor studied was compound 12 with a K-i value of 0.151 muM. Six of the compounds described are also effective trypanocides with IC50 values <1 M. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00643-0