{2-[(4Z)-1,3-Dioxolan-4-ylidene]ethyl}trimethylazanium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: {2-[(4Z)-1,3-Dioxolan-4-ylidene]ethyl}trimethylazanium
• 英文别名: [(2Z)-2-(1,3-dioxolan-4-ylidene)ethyl]-trimethylazanium
• 化学式: C8H16NO2+
• 分子量: 158.22
• InChiKey: SDUNKEQQLQDTTQ-YWEYNIOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Poly(ADP-ribose) polymerase 1 inhibitors structurally unrelated to NAD
  申请人：Institute for Cancer Research

  公开号：US10550108B2

  公开（公告）日：2020-02-04

  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.

  本研究提供了与 NAD 无关的、针对 PARP1-组蛋白 H4 相互作用的化合物以及这些化合物的组合物，并提供了使用这些化合物特异性抑制聚（ADP-核糖）聚合酶 1（PARP-1）的方法。这些 PARP-1 抑制剂可用于治疗 PARP-1 活化或生物活性起作用的癌症，包括前列腺癌、乳腺癌、肾癌、卵巢癌、淋巴瘤、白血病和胶质母细胞瘤等。
• 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.