4-(1,4-Dioxaspiro[4.5]dec-2-ylmethyl)-4-methylmorpholin-4-ium

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1,4-Dioxaspiro[4.5]dec-2-ylmethyl)-4-methylmorpholin-4-ium
• 英文别名: 4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-methylmorpholin-4-ium
• 化学式: C14H26NO3+
• 分子量: 256.36
• InChiKey: XGAVRSHGIBDPMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Poly(ADP-Ribose) Polymerase 1 Inhibitors Structurally Unrelated to NAD
  申请人：Institute for Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center

  公开号：US20170283402A1

  公开（公告）日：2017-10-05

  Compounds that are not related to NAD, and which target PARP1-histone H4 interaction are provided, as well as compositions of these compounds, and methods for specific inhibition of poly(ADP-ribose) polymerase 1 (PARP-1) using these compounds are provided. These PARP-1 inhibitors may be used to treat cancer in which PARP-1 activation or biologic activity plays a role, including prostate cancer, breast cancer, kidney cancer, ovarian cancer, lymphoma, leukemia, and glioblastoma, among others.