tert-butyl N-[2-[[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-6-[4-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]piperidin-1-yl]-1,3,5-triazin-2-yl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate | 893842-31-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl N-[2-[[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-6-[4-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]piperidin-1-yl]-1,3,5-triazin-2-yl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
• CAS: 893842-31-4
• 化学式: C₄₀H₆₈Cl₂N₁₄O₈
• 分子量: 943.975
• InChiKey: KTBCDEPYIZCZCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  64
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  252
• 氢给体数：
  5
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-6-[4-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]piperidin-1-yl]-1,3,5-triazin-2-yl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate 、 2-[2-(4-{4-[4,6-bis-(4-{4-[2-(2-hydroxy-ethoxy)-ethylamino]-6-piperazin-1-yl-[1,3,5]triazin-2-yl}-piperazin-1-yl)-[1,3,5]triazin-2-yl]-piperazin-1-yl}-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino)-ethoxy]-ethanol 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以96%的产率得到C₁₆₈H₂₈₂Cl₃N₆₉O₃₀
  参考文献：
  名称：

  Functionally Diverse Macromolecules and Their Synthesis

  摘要：

  本文披露了功能多样的大分子和用于获得这些大分子的合成途径。在某些实施例中，合成以分散的方式进行。在其他实施例中，这些途径依赖于显示受保护或未受保护基团的单体亲电性三嗪构建块的不同反应性。这种多样性使得能够轻松地在这些大分子的多个位置引入各种多样性基团，从而为大分子的进一步世代生长和/或其他多样性基团（如生物相容性靶向基团）的引入奠定了基础。

  公开号：

  US20070041933A1
• 作为产物：
  描述：

  {2-[{4-[Bis-(2-tert-butoxycarbonylamino-ethyl)-amino]-6-chloro-[1,3,5]triazin-2-yl}-(2-tert-butoxycarbonylamino-ethyl)-amino]-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， 反应 12.0h， 生成 tert-butyl N-[2-[[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-6-[4-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]piperidin-1-yl]-1,3,5-triazin-2-yl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
  参考文献：
  名称：

  A Divergent Route to Diversity in Macromolecules

  摘要：

  A synthetic route for obtaining functional group diversity in macromolecules is described. The route relies on the differential reactivity of substituted dichlorotriazines. Treatment of a triamine core with substituted dichlorotriazines cleanly yields tris(monochlorotriazines). Subsequent SNAr reactions with amine nucleophiles bearing the functional group of interest yield diversity. If the substituent on the dichlorotriazine is a protected nucleophile, deprotection of the functionalized core allows for iterative reactions and the synthesis of star, dendritic, and hybrid macromolecules.

  DOI：

  10.1021/ol060559p

文献信息

• FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS
  申请人：Simanek E. Eric

  公开号：US20070098676A1

  公开（公告）日：2007-05-03

  Functionally diverse macromolecules and synthetic routes for obtaining the same are disclosed. In certain embodiments, the synthesis proceeds in a divergent manner. In other embodiments, the routes rely on the differential reactivity of monomeric electrophilic triazine building blocks that display protected or unprotected groups. This diversity permits the facile introduction of a variety of diversity groups at multiple positions of these macromolecules, thereby setting the stage for further generational growth of the macromolecule and/or incorporation of other diversity groups such as biocompatible targeting groups.
• Functionally Diverse Macromolecules and Their Synthesis
  申请人：Simanek E. Eric

  公开号：US20070041933A1

  公开（公告）日：2007-02-22

  Functionally diverse macromolecules and synthetic routes for obtaining the same are disclosed. In certain embodiments, the synthesis proceeds in a divergent manner. In other embodiments, the routes rely on the differential reactivity of monomeric electrophilic triazine building blocks that display protected or unprotected groups. This diversity permits the facile introduction of a variety of diversity groups at multiple positions of these macromolecules, thereby setting the stage for further generational growth of the macromolecule and/or incorporation of other diversity groups such as biocompatible targeting groups.

  本文披露了功能多样的大分子和用于获得这些大分子的合成途径。在某些实施例中，合成以分散的方式进行。在其他实施例中，这些途径依赖于显示受保护或未受保护基团的单体亲电性三嗪构建块的不同反应性。这种多样性使得能够轻松地在这些大分子的多个位置引入各种多样性基团，从而为大分子的进一步世代生长和/或其他多样性基团（如生物相容性靶向基团）的引入奠定了基础。
• A Divergent Route to Diversity in Macromolecules
  作者：Emily Hollink、Eric E. Simanek

  DOI：10.1021/ol060559p

  日期：2006.5.1

  A synthetic route for obtaining functional group diversity in macromolecules is described. The route relies on the differential reactivity of substituted dichlorotriazines. Treatment of a triamine core with substituted dichlorotriazines cleanly yields tris(monochlorotriazines). Subsequent SNAr reactions with amine nucleophiles bearing the functional group of interest yield diversity. If the substituent on the dichlorotriazine is a protected nucleophile, deprotection of the functionalized core allows for iterative reactions and the synthesis of star, dendritic, and hybrid macromolecules.