7-(2-piperazinethyl)-theophylline | 47130-54-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-(2-piperazinethyl)-theophylline
• 英文别名: 1,3-dimethyl-7-(2-piperazin-1-yl-ethyl)-3,7-dihydro-purine-2,6-dione；1,3-Dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione
• CAS: 47130-54-1
• 化学式: C₁₃H₂₀N₆O₂
• 分子量: 292.341
• InChiKey: PGAYGMHXDKWICX-UHFFFAOYSA-N

物化性质

• 沸点：
  539.0±60.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  73.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-(2-piperazinethyl)-theophylline 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 potassium hydrogencarbonate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 17.0h， 生成 2-methyl-5-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone
  参考文献：
  名称：

  7位取代的茶碱衍生物的支气管扩张活性

  摘要：

  合成了7-位连接多个基团的茶碱衍生物，并在豚鼠身上研究了它们的药理活性。当 3 (2H)-哒嗪酮系统通过哌嗪环与 7-(2-乙基)-茶碱相连时，与茶碱相比，气管肌肉的松弛作用增加，但当 7-(2-乙基)-茶碱与 7-(2-乙基)-茶碱相连时，气管肌肉的松弛作用减弱。 ) -茶碱通过氨基与 3 (2H) -哒嗪酮环相连。

  DOI：

  10.1002/ardp.19943271006

文献信息

• NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA
  申请人：University of Florida Research Foundation, Inc.

  公开号：US20130281389A1

  公开（公告）日：2013-10-24

  Topoisomerase II alpha (topo IIα) is exported from the cell nucleus in human myeloma cells by a chromosome-maintenance protein-1 (CRM1)-dependent mechanism, resulting in topo II inhibitor resistance. The nuclear export signal (NES) of topo IIα is unique, making it a potential target for small molecule inhibitors. Small molecules NES inhibitors were identified, which inhibited binding of topo IIα to the export receptor CRM1. Inhibition was specific to topo IIα as p53 trafficking was unaffected along with topo IIα protein expression and function (decatenation). These topo IIα-specific nuclear export inhibitors may potentially lead to a new approach in circumventing drug resistance in multiple myeloma. The compounds provide a protocol for treating multiple myeloma or an oncogenic disease. Further, the topoisomerase II nuclear export signal inhibitor may be combined with a topoisomerase II inhibitor.
• US9616051B2
  申请人：——

  公开号：US9616051B2

  公开（公告）日：2017-04-11
• Bronchodilator Activity of Theophylline Derivatives Substituted at the 7-Position
  作者：Stefano Corsano、Rossana Scapicchi、Giovannella Strappaghetti

  DOI：10.1002/ardp.19943271006

  日期：——

  Theophylline derivatives with several groups linked at the 7‐position were synthesized and their pharmacological activities were studied on guinea pig. Relaxant action in the tracheal muscle was increased in comparison with that of theophylline when the 3(2H)‐pyridazinone system was linked to 7‐(2‐ethyl)‐theophylline through the piperazine ring, but decreased when the 7‐(2‐ethyl)‐theophylline was linked

  合成了7-位连接多个基团的茶碱衍生物，并在豚鼠身上研究了它们的药理活性。当 3 (2H)-哒嗪酮系统通过哌嗪环与 7-(2-乙基)-茶碱相连时，与茶碱相比，气管肌肉的松弛作用增加，但当 7-(2-乙基)-茶碱与 7-(2-乙基)-茶碱相连时，气管肌肉的松弛作用减弱。 ) -茶碱通过氨基与 3 (2H) -哒嗪酮环相连。