[2-(2-{2-[2-(4-Amino-phenyl)-acetylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester | 796702-55-1

• 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: [2-(2-{2-[2-(4-Amino-phenyl)-acetylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester
• CAS: 796702-55-1
• 化学式: C₁₉H₃₁N₃O₅
• 分子量: 381.472
• InChiKey: RHQPEELTVKWKCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  27.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  111.91
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  三聚氯氰 、 [2-(2-{2-[2-(4-Amino-phenyl)-acetylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以59%的产率得到{2-[2-(2-{2-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-phenyl]-acetylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Facilitated Forward Chemical Genetics Using a Tagged Triazine Library and Zebrafish Embryo Screening

  摘要：

  An improved forward chemical genetics approach was successfully demonstrated using a tagged library concept. A small-molecule triazine library with linkers was used to screen for brain/eye developmental phenotypes in a zebrafish embryo system. This approach enabled the rapid isolation of the target proteins by facile affinity matrix preparation and elucidated the first small-molecule inhibitors for several ribosomal accessory proteins or their complex as the target.

  DOI：

  10.1021/ja035334d
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 [2-(2-{2-[2-(4-Amino-phenyl)-acetylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Facilitated Forward Chemical Genetics Using a Tagged Triazine Library and Zebrafish Embryo Screening

  摘要：

  An improved forward chemical genetics approach was successfully demonstrated using a tagged library concept. A small-molecule triazine library with linkers was used to screen for brain/eye developmental phenotypes in a zebrafish embryo system. This approach enabled the rapid isolation of the target proteins by facile affinity matrix preparation and elucidated the first small-molecule inhibitors for several ribosomal accessory proteins or their complex as the target.

  DOI：

  10.1021/ja035334d