tert-butyl 4-[11-[[(2S)-2-(4-methyl-2,5-dioxopiperazin-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]undecanoyl]piperazine-1-carboxylate | 1192373-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-[11-[[(2S)-2-(4-methyl-2,5-dioxopiperazin-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]undecanoyl]piperazine-1-carboxylate
• CAS: 1192373-37-7
• 化学式: C₃₆H₆₄N₆O₈
• 分子量: 708.94
• InChiKey: SCFRMILOQPHLEL-NDEPHWFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  50
• 可旋转键数：
  22
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  158
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[11-[[(2S)-2-(4-methyl-2,5-dioxopiperazin-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]undecanoyl]piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 (2S)-6-amino-2-(4-methyl-2,5-dioxopiperazin-1-yl)-N-(11-oxo-11-piperazin-1-ylundecyl)hexanamide
  参考文献：
  名称：

  Bivalent Diketopiperazine-Based Tropomysin Receptor Kinase C (TrkC) Antagonists

  摘要：

  Bivalent molecules containing two beta-turn mimics with side chains that correspond to hot-spots on the neurotrophin NT-3 were prepared. Binding assays showed the mimetics to be selective TrkC ligands, and biological assays showed one mimetic to be an antagonist of the TrkC receptor.

  DOI：

  10.1021/jm100148d
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 tert-butyl 4-[11-[[(2S)-2-(4-methyl-2,5-dioxopiperazin-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]undecanoyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Bivalent Diketopiperazine-Based Tropomysin Receptor Kinase C (TrkC) Antagonists

  摘要：

  Bivalent molecules containing two beta-turn mimics with side chains that correspond to hot-spots on the neurotrophin NT-3 were prepared. Binding assays showed the mimetics to be selective TrkC ligands, and biological assays showed one mimetic to be an antagonist of the TrkC receptor.

  DOI：

  10.1021/jm100148d

文献信息

• Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof
  申请人：Burgess Kevin

  公开号：US20120232268A1

  公开（公告）日：2012-09-13

  Monovalent compounds having moieties comprising at least one amino acid side chain are bound to a core molecule, which also comprises a nucleophilic moiety bound to said core molecule. Monovalent compounds also comprise a macrocyclic ring, a nucleophilic moiety, and a spacer group. Monovalent compounds may be combined into bivalent and trivalent compounds, some of which may have a labeling tag. Methods of production of bivalent compounds and contemplated uses thereof are disclosed.

  含有至少一个氨基酸侧链的单价化合物与核心分子结合，该核心分子还包括与所述核心分子结合的亲核团。单价化合物还包括一个大环环，一个亲核团和一个间隔基团。单价化合物可以组合成双价和三价化合物，其中一些可能具有标记标签。公开了双价化合物的生产方法和拟议的用途。
• DIPEPTIDE MIMICS, LIBRARIES COMBINING TWO DIPEPTIDE MIMICS WITH A THIRD GROUP, AND METHODS FOR PRODUCTION THEREOF
  申请人：Burgess Kevin

  公开号：US20090264315A1

  公开（公告）日：2009-10-22

  Monovalent compounds having moieties comprising at least one amino acid side chain are bound to a core molecule, which also comprises a nucleophilic moiety bound to said core molecule. Monovalent compounds also comprise a macrocyclic ring, a nucleophilic moiety, and a spacer group. Monovalent compounds may be combined into bivalent and trivalent compounds, some of which may have a labeling tag. Methods of production of bivalent compounds and contemplated uses thereof are disclosed.
• US9562023B2
  申请人：——

  公开号：US9562023B2

  公开（公告）日：2017-02-07
• Bivalent Diketopiperazine-Based Tropomysin Receptor Kinase C (TrkC) Antagonists
  作者：Jing Liu、Fouad Brahimi、H. Uri Saragovi、Kevin Burgess

  DOI：10.1021/jm100148d

  日期：2010.7.8

  Bivalent molecules containing two beta-turn mimics with side chains that correspond to hot-spots on the neurotrophin NT-3 were prepared. Binding assays showed the mimetics to be selective TrkC ligands, and biological assays showed one mimetic to be an antagonist of the TrkC receptor.