PyWWOMe | 1257657-76-3

• 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: PyWWOMe
• CAS: 1257657-76-3
• 化学式: C₂₉H₂₇N₅O₄
• 分子量: 509.564
• InChiKey: ANJOVSPXZPGUFO-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  38.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  128.97
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  PyWWOMe 在 甲醇 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以69%的产率得到PyWWOH
  参考文献：
  名称：

  A synthetic ditryptophan conjugate that rescues bacteria from mercury toxicity through complexation

  摘要：

  The synthesis of ditryptophan-pyridine conjugates and their binding to mercury ions is described. Conjugate 3 shows an excellent ability to sequester mercury from solution and rescue bacterial growth in a concentration-dependent survival assay. It is proposed that such compounds, composed primarily of bioessential/biodegradable components, could be potentially used as sequestrating agents for the removal of Hg(II) ions in detoxification strategies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.047
• 作为产物：
  描述：

  2-吡啶甲酸 、 L-tryptophanyl-L-tryptophan methyl ester hydrochloride 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 以46%的产率得到PyWWOMe
  参考文献：
  名称：

  A synthetic ditryptophan conjugate that rescues bacteria from mercury toxicity through complexation

  摘要：

  The synthesis of ditryptophan-pyridine conjugates and their binding to mercury ions is described. Conjugate 3 shows an excellent ability to sequester mercury from solution and rescue bacterial growth in a concentration-dependent survival assay. It is proposed that such compounds, composed primarily of bioessential/biodegradable components, could be potentially used as sequestrating agents for the removal of Hg(II) ions in detoxification strategies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.047

文献信息

• Pd-Catalyzed Picolinamide-Directed Late-Stage Chalcogenation of Tryptophan-Containing Peptides
  作者：Raghunath Bag、Nagendra K. Sharma

  DOI：10.1021/acs.joc.3c01657

  日期：2023.11.17

  chalcogenation of tryptophan-containing peptides with disulfides/diselenides in moderate to good yields. It comprises broad substrate scope, functional group diversity, late-stage modification of drug molecules, and various valuable synthetic transformations, including room temperature easy removal of the picolinamide auxiliary, which could be applicable to tune the structure and function of peptides.

  该报告描述了钯催化的含色氨酸肽与二硫化物/二硒化物的后期硫属化反应，产率中等至良好。它包括广泛的底物范围、官能团多样性、药物分子的后期修饰以及各种有价值的合成转化，包括室温下轻松去除吡啶酰胺辅助剂，可用于调整肽的结构和功能。