1-N',3-N'-bis(2-hydroxybenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide | 1451837-14-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-N',3-N'-bis(2-hydroxybenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
• CAS: 1451837-14-1
• 化学式: C₁₉H₂₀N₄O₄S₂
• 分子量: 432.524
• InChiKey: GPPOFVXCLQJKMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  169
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(o-hydroksy)tiobenzoilopiperydyna 在 硫化氢 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-N',3-N'-bis(2-hydroxybenzenecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
  参考文献：
  名称：

  Syntheses and antitumor activities of N′1,N′3-dialkyl-N′1,N′3-di-(alkylcarbonothioyl) malonohydrazide: The discovery of elesclomol

  摘要：

  A series of N'(1),N'(3)-dialkyl-N'(1),N'(3)-di(alkylcarbonothioyl) malonohydrazides have been designed and synthesized as anticancer agents by targeting oxidative stress and Hsp70 induction. Structure-activity relationship (SAR) studies lead to the discovery of STA-4783 (elesclomol), a novel small molecule that has been evaluated in a number of clinical trials as an anticancer agent in combination with Taxol. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.07.032

文献信息

• Syntheses and antitumor activities of N′1,N′3-dialkyl-N′1,N′3-di-(alkylcarbonothioyl) malonohydrazide: The discovery of elesclomol
  作者：Shoujun Chen、Lijun Sun、Keizo Koya、Noriaki Tatsuta、Zhiqiang Xia、Timothy Korbut、Zhenjian Du、Jim Wu、Guiqing Liang、Jun Jiang、Mitsunori Ono、Dan Zhou、Andrew Sonderfan

  DOI：10.1016/j.bmcl.2013.07.032

  日期：2013.9

  A series of N'(1),N'(3)-dialkyl-N'(1),N'(3)-di(alkylcarbonothioyl) malonohydrazides have been designed and synthesized as anticancer agents by targeting oxidative stress and Hsp70 induction. Structure-activity relationship (SAR) studies lead to the discovery of STA-4783 (elesclomol), a novel small molecule that has been evaluated in a number of clinical trials as an anticancer agent in combination with Taxol. (C) 2013 Elsevier Ltd. All rights reserved.