1-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-3-[2-(4-hydroxy-phenyl)-ethyl]-urea | 393511-90-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-3-[2-(4-hydroxy-phenyl)-ethyl]-urea
• 英文别名: 1-[4-[Bis(2-hydroxyethyl)amino]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
• CAS: 393511-90-5
• 化学式: C₁₉H₂₅N₃O₄
• 分子量: 359.425
• InChiKey: GKZWNSMJEBMJRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  105
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-3-[2-(4-hydroxy-phenyl)-ethyl]-urea 在 吡啶 、 氯化亚砜 、 D₂₀ 作用下， 以 氘代二甲亚砜 、 二氯甲烷 为溶剂， 反应 181.0h， 生成
  参考文献：
  名称：

  Synthesis and analysis of urea and carbamate prodrugs as candidates for melanocyte-directed enzyme prodrug therapy (MDEPT)

  摘要：

  The suitability of 4-di(2-chloroethyl)aminoanilino-4-hydroxyphenethylaminomethanone 2 to act as a prodrug for melanocyte-directed enzyme prodrug therapy (MDEPT) is assessed. Thus its synthesis, ability to generate a cytotoxic agent upon exposure to tyrosinase, and stability within different sera are reported. A comparison is made to illustrate that the new urea prodrug 2 is a more suitable candidate for MDEPT than the corresponding carbamate prodrug 1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00097-4
• 作为产物：
  描述：

  对羟基苯乙胺 在 palladium on activated charcoal 吡啶 、 氢气 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 生成 1-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-3-[2-(4-hydroxy-phenyl)-ethyl]-urea
  参考文献：
  名称：

  Synthesis and analysis of urea and carbamate prodrugs as candidates for melanocyte-directed enzyme prodrug therapy (MDEPT)

  摘要：

  The suitability of 4-di(2-chloroethyl)aminoanilino-4-hydroxyphenethylaminomethanone 2 to act as a prodrug for melanocyte-directed enzyme prodrug therapy (MDEPT) is assessed. Thus its synthesis, ability to generate a cytotoxic agent upon exposure to tyrosinase, and stability within different sera are reported. A comparison is made to illustrate that the new urea prodrug 2 is a more suitable candidate for MDEPT than the corresponding carbamate prodrug 1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00097-4

文献信息

• US7183319B2
  申请人：——

  公开号：US7183319B2

  公开（公告）日：2007-02-27