(2S)-2-[(3S)-4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxopiperazin-1-yl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid | 1234347-74-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[(3S)-4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxopiperazin-1-yl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
• CAS: 1234347-74-0
• 化学式: C₂₃H₃₉N₃O₈
• 分子量: 485.578
• InChiKey: STPDEPUPSRKCTD-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  143
• 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-aminoundecanoyl)piperazine-1-carboxylate 、 (2S)-2-[(3S)-4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxopiperazin-1-yl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以62%的产率得到tert-butyl 4-[11-[[(2S)-2-[(3S)-4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-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
• 作为产物：
  描述：

  methyl (2S)-2-[(3S)-4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxopiperazin-1-yl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate 在 三甲基氢氧化锡 作用下， 以 1,2-二氯乙烷 为溶剂， 以64%的产率得到(2S)-2-[(3S)-4-methyl-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxopiperazin-1-yl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
  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

• 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.