4-(3-carboxy-7-oxa-bicyclo[2.2.1]heptane-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester | 1047659-23-3

• 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: 4-(3-carboxy-7-oxa-bicyclo[2.2.1]heptane-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-(3-carboxy-7oxa-bicyclo[2.2.1]heptane-2-carbonyl)piperazine-1-carboxylate；3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-4-ium-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
• CAS: 1047659-23-3
• 化学式: C₁₇H₂₆N₂O₆
• 分子量: 354.403
• InChiKey: QJMAFHBXQNFFKL-UHFFFAOYSA-N

物化性质

• 沸点：
  556.0±50.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  去甲斑蝥素 、 N-Boc-哌嗪 以 甲苯 为溶剂， 反应 8.0h， 以47%的产率得到4-(3-carboxy-7-oxa-bicyclo[2.2.1]heptane-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use

  摘要：

  这项发明提供了具有该结构的化合物，可用于肿瘤治疗。

  公开号：

  US20090036309A1

文献信息

• OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE
  申请人：Kovach John S.

  公开号：US20120270736A1

  公开（公告）日：2012-10-25

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  这项发明提供了具有以下结构的化合物，可用于肿瘤治疗。
• Oxabicycloheptanes and oxabicycloheptenes, their preparation and use
  申请人：LIXTE BIOTECHNOLOGY, INC.

  公开号：US10023587B2

  公开（公告）日：2018-07-17

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  本发明提供了具有以下结构的化合物 可用于治疗肿瘤。
• Enhancing Therapeutic Efficacy of Cisplatin by Blocking DNA Damage Repair
  作者：Yuwei Cong、Liangyan Wang、Zigui Wang、Shasha He、Dongfang Zhou、Xiabin Jing、Yubin Huang

  DOI：10.1021/acsmedchemlett.6b00236

  日期：2016.10.13

  Self-repair of nuclear DNA damage is the most known reason that leads to drug resistance of cancer tissue and limited therapeutic efficacy of anticancer drugs. Inhibition of protein phosphatase 2A (PP2A) would block DNA damage-induced defense of cancer cells to suppress DNA repair for enhanced cancer treatment. Here, we combined a PP2A inhibitor LB (4-(3-carboxy-7-oxa-bicyclo[2.2.1]heptane-2-carbonyl) piperazine-1-carboxylic acid tert-butyl ester) and the DNA damage chemotherapeutic drug cisplatin through a simple physical superposition. The two drugs administrated at a ratio of 1:1 exhibited an optional synergistic antitumor efficacy in vitro and in vivo. LB was demonstrated to specifically activate the protein kinase B (Akt) and mitogen-activated protein kinases (MAPK) signaling pathways by PP2A inhibition to overcome cell cycle arrest caused by cisplatin-induced DNA damage.
• US7998957B2
  申请人：——

  公开号：US7998957B2

  公开（公告）日：2011-08-16
• US8426444B2
  申请人：——

  公开号：US8426444B2

  公开（公告）日：2013-04-23