5-Methyl-1-[2-(5-methyl-2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione | 1021906-65-9

• 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: 5-Methyl-1-[2-(5-methyl-2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione
• 英文别名: 5-methyl-1-[2-(5-methyl-2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione
• CAS: 1021906-65-9
• 化学式: C₂₀H₁₂N₂O₆
• 分子量: 376.325
• InChiKey: HXOLUYAAFBHJSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Methyl-1-[2-(5-methyl-2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione 、 L-蛋氨酸甲酯盐酸盐 在 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以28%的产率得到methyl (2S)-2-[[2-[2-[[2-[2-[2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-4-methylanilino]-2-oxoacetyl]amino]-5-methylphenyl]-2-oxoacetyl]amino]-4-methylsulfanylbutanoate
  参考文献：
  名称：

  Synthesis of anti-bacterial peptidomimetics derived from N-acylisatins

  摘要：

  An efficient synthetic strategy to mono- and bis-glyoxylamide derivatives via the reaction of N-acylisatins with a range of amino acids has been developed. Using this strategy, a series of new peptidomimetics have been synthesized. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.03.007

文献信息

• Synthesis, Structures, and Conformations of Linked Bis-Glyoxylamides Derived from Bis-Acylisatins
  作者：Venty Suryanti、Glenn C. Condie、Mohan Bhadbhade、Roger Bishop、David StC. Black、Naresh Kumar

  DOI：10.1071/ch14135

  日期：——

  A series of bis-glyoxylamides possessing hydrophobic alkyl chains was successfully synthesised by ring opening of bis-acylisatins with amines or amino acid alkyl esters. The crystal structures revealed the interplay of intra- and intermolecular interactions (NH···O and C=O···C=O interactions) and the conformations of these long molecules.

  通过用胺或氨基酸烷基酯打开双乙酰异构胺的环，成功合成了一系列具有疏水烷基链的双乙酰氧基酰胺。晶体结构揭示了分子内和分子间的相互作用（NH--O 和 C=O-C=O 相互作用）以及这些长分子的构象。
• Synthesis of anti-bacterial peptidomimetics derived from N-acylisatins
  作者：Wai Ching Cheah、David StC Black、Wai Kean Goh、Naresh Kumar

  DOI：10.1016/j.tetlet.2008.03.007

  日期：2008.4

  An efficient synthetic strategy to mono- and bis-glyoxylamide derivatives via the reaction of N-acylisatins with a range of amino acids has been developed. Using this strategy, a series of new peptidomimetics have been synthesized. (c) 2008 Elsevier Ltd. All rights reserved.