ZRL4 | 1191923-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: ZRL4
• 英文别名: chloromethyl N-[[4-(3-chloroanilino)quinazolin-6-yl]diazenyl]-N-methylcarbamate
• CAS: 1191923-41-7
• 化学式: C₁₇H₁₄Cl₂N₆O₂
• 分子量: 405.243
• InChiKey: CEJANPMZSKHVCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ZRL4 在 potassium iodide 作用下， 以 丙酮 为溶剂， 生成 iodomethyl 3-(4-((3-chlorophenyl)amino)quinazolin-6-yl)-1-methyltriaz-2-ene-1-carboxylate
  参考文献：
  名称：

  Design and synthesis of new stabilized combi-triazenes for targeting solid tumors expressing the epidermal growth factor receptor (EGFR) or its closest homologue HER2

  摘要：

  The monoalkyltriazene moiety lends itself well to the design of combi-molecules. However, due to its instability under physiological conditions, efforts were directed towards stabilizing it by grafting a hydrolysable carbamate onto the 3-position. The synthesis and biological activities of these novel N-carbamyl triazenes are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.060
• 作为产物：
  描述：

  BJ 2000 、 氯甲酸氯甲酯 在 吡啶 作用下， 以 乙腈 为溶剂， 生成 ZRL4
  参考文献：
  名称：

  Design and synthesis of new stabilized combi-triazenes for targeting solid tumors expressing the epidermal growth factor receptor (EGFR) or its closest homologue HER2

  摘要：

  The monoalkyltriazene moiety lends itself well to the design of combi-molecules. However, due to its instability under physiological conditions, efforts were directed towards stabilizing it by grafting a hydrolysable carbamate onto the 3-position. The synthesis and biological activities of these novel N-carbamyl triazenes are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.060