N-(1,3-benzodioxol-5-yl)-3-nitrobenzamide | 418772-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-(1,3-benzodioxol-5-yl)-3-nitrobenzamide
• CAS: 418772-95-9
• 化学式: C₁₄H₁₀N₂O₅
• mdl: MFCD00980965
• 分子量: 286.244
• InChiKey: CZTTZOLGZQENTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(1,3-benzodioxol-5-yl)-3-nitrobenzamide 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 生成 3-amino-N-(2H-1,3-benzodioxol-5-yl)benzamide
  参考文献：
  名称：

  3-(2′-Bromopropionylamino)-benzamides as novel S-phase arrest agents

  摘要：

  We report the synthesis, anti proliferative activity, and SAR of novel 3-(2'-bromopropionylamino)-benzamides. Many of the benzamide compounds showed potent cytotoxicities against Molt-3 leukemia cells. Several compounds exihibited cytotoxicities (under 6.5 mu M) against five solid tumor cell lines. The mechanism of action of the most potent benzamide 101 does not involve targeting on tubulin but it causes cell cycle S-phase arrest. This active S-phase arrest agent merits further investigation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.016
• 作为产物：
  描述：

  3,4-亚甲二氧基苯胺 、 间硝基苯甲酰氯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(1,3-benzodioxol-5-yl)-3-nitrobenzamide
  参考文献：
  名称：

  3-(2′-Bromopropionylamino)-benzamides as novel S-phase arrest agents

  摘要：

  We report the synthesis, anti proliferative activity, and SAR of novel 3-(2'-bromopropionylamino)-benzamides. Many of the benzamide compounds showed potent cytotoxicities against Molt-3 leukemia cells. Several compounds exihibited cytotoxicities (under 6.5 mu M) against five solid tumor cell lines. The mechanism of action of the most potent benzamide 101 does not involve targeting on tubulin but it causes cell cycle S-phase arrest. This active S-phase arrest agent merits further investigation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.016

文献信息

• FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS
  申请人：Novogen Limited

  公开号：US20170166555A1

  公开（公告）日：2017-06-15

  The present invention relates to anti-tropomyosin compounds, processes for their preparation, and methods for treating or preventing a proliferative disease, preferably cancer, using compounds of the invention.
• 3-(2′-Bromopropionylamino)-benzamides as novel S-phase arrest agents
  作者：Laixing Hu、Zhuo-rong Li、Jian-Nong Li、Jinrong Qu、Jian-Dong Jiang、David W. Boykin

  DOI：10.1016/j.bmcl.2007.10.016

  日期：2007.12

  We report the synthesis, anti proliferative activity, and SAR of novel 3-(2'-bromopropionylamino)-benzamides. Many of the benzamide compounds showed potent cytotoxicities against Molt-3 leukemia cells. Several compounds exihibited cytotoxicities (under 6.5 mu M) against five solid tumor cell lines. The mechanism of action of the most potent benzamide 101 does not involve targeting on tubulin but it causes cell cycle S-phase arrest. This active S-phase arrest agent merits further investigation. (c) 2007 Elsevier Ltd. All rights reserved.