N,N'-bis(3-(2-thenylidenimino)propyl)piperazine | 77136-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N,N'-bis(3-(2-thenylidenimino)propyl)piperazine
• CAS: 77136-33-5
• 化学式: C₂₀H₂₈N₄S₂
• 分子量: 388.601
• InChiKey: KBRHHTMURJEKIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  26.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  31.2
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N,N'-bis(3-(2-thenylidenimino)propyl)piperazine 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 N,N'-bis(3-(2-thenylamino)propyl)piperazine
  参考文献：
  名称：

  Trypanothione reductase inhibition/trypanocidal activity relationships in a 1,4-bis(3-aminopropyl)piperazine series

  摘要：

  A series of symmetrically substituted 1,4-bis(3-aminopropyl)piperazines was synthesized and tested towards trypanothione reductase and for its in vitro trypanocidal potency. The most trypanocidal amongst them was found to be totally inactive towards the enzyme and thus constitutes a lead structure for the identification of new potential Trypanosoma cruzi target(s). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00268-0
• 作为产物：
  描述：

  2-噻吩甲醛 、 1,4-双(3-氨基丙基)哌嗪 在 3 A molecular sieve 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 N,N'-bis(3-(2-thenylidenimino)propyl)piperazine
  参考文献：
  名称：

  Trypanothione reductase inhibition/trypanocidal activity relationships in a 1,4-bis(3-aminopropyl)piperazine series

  摘要：

  A series of symmetrically substituted 1,4-bis(3-aminopropyl)piperazines was synthesized and tested towards trypanothione reductase and for its in vitro trypanocidal potency. The most trypanocidal amongst them was found to be totally inactive towards the enzyme and thus constitutes a lead structure for the identification of new potential Trypanosoma cruzi target(s). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00268-0

文献信息

• Casella, Luigi; Ibers, James A., Inorganic Chemistry, 1981, vol. 20, # 8, p. 2438 - 2448
  作者：Casella, Luigi、Ibers, James A.

  DOI：——

  日期：——