trans-N-[3-(1H-indol-3-yl)acryloyl]glycine | 61994-17-0

• 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: trans-N-[3-(1H-indol-3-yl)acryloyl]glycine
• 英文别名: N-(3t-indol-3-yl-acryloyl)-glycine；N-(3t-Indol-3-yl-acryloyl)-glycin；Indolylacryloylglycine；2-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]acetic acid
• CAS: 61994-17-0
• 化学式: C₁₃H₁₂N₂O₃
• 分子量: 244.25
• InChiKey: DUIFVCFSAWHIOD-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  反式吲哚-3-烯丙酸 在 phosphate buffer 、 三正丁胺 、 pig liver esterase (E_.C_. 3.1.1.1) 、 2-氯-1-甲基吡啶碘化物 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 144.0h， 生成 trans-N-[3-(1H-indol-3-yl)acryloyl]glycine
  参考文献：
  名称：

  Identification of indolyl-3-acryloylglycine in the urine of people with autism

  摘要：

  摘要：自闭症患者尿液的高效液相色谱分析表明存在一种未知成分，其浓度大大增加。我们已经报道了通过高效液相色谱分离该成分及其鉴定的结果。质谱、核磁共振和紫外光谱确定该峰对应于吲哚基-3-丙烯酰基甘氨酸（IAG，3），这已经通过独立合成得到了确认。

  DOI：

  10.1211/0022357021778349

文献信息

• PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES
  申请人：Bednarek Pawel

  公开号：US20090028796A1

  公开（公告）日：2009-01-29

  The present invention is directed to pesticidal compositions comprising indole derivatives. These indole derivatives are especially active against phytopathogenic fungi. Furthermore, the invention relates to the use of indole derivatives for the production of pesticides and the use of the compositions according to the invention as pesticides. The present invention is also directed to a process for producing a pesticidal composition and to pesticidal compositions prepared by this process. In addition, the invention relates to a process for preventing or combating pests and to a process for protecting plants against pests, especially against phytopathogenic fungi. Further, the invention is directed to plants or seeds as well as objects or materials which have been protected against pests by treatment with a composition according to the invention. Further, the invention is directed to a method for identifying a substance having pesticidal activity. Further, the invention is directed to a method of identifying the mode of action of and/or of providing binding proteins for a pesticidal compound of the present invention. Finally, the invention is directed to a method for diagnosing pest infection of a plant and to the use of a pesticidal compound of the present invention as diagnostic markers.

  本发明涉及包含吲哚衍生物的杀虫组合物。这些吲哚衍生物特别对植物病原真菌具有活性。此外，本发明涉及使用吲哚衍生物制备杀虫剂以及使用本发明中的组合物作为杀虫剂。本发明还涉及制备杀虫组合物的过程以及通过该过程制备的杀虫组合物。此外，本发明还涉及预防或对抗害虫的过程以及保护植物免受害虫，特别是植物病原真菌的过程。此外，本发明还涉及经过本发明中的组合物处理后受到保护的植物或种子以及物体或材料。本发明还涉及识别具有杀虫活性的物质的方法。此外，本发明还涉及识别本发明中杀虫化合物的作用方式和/或提供结合蛋白的方法。最后，本发明涉及诊断植物害虫感染的方法以及使用本发明中的杀虫化合物作为诊断标记的方法。
• Kimmig et al., Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1958, vol. 311, p. 234,237
  作者：Kimmig et al.

  DOI：——

  日期：——
• Identification of indolyl-3-acryloylglycine in the urine of people with autism
  作者：Rosaleen J Anderson、David J Bendell、Ian Garnett、Paul W Groundwater、W John Lough、Malcolm J Mills、Dawn Savery、Paul E G Shattock

  DOI：10.1211/0022357021778349

  日期：2010.2.18

  HPLC analysis of the urine of autistic subjects indicated the presence of an unidentified component in greatly increased concentrations. We have reported the isolation of this component by HPLC and its identification. Mass spectrometry, NMR and UV spectroscopy identified the peak as corresponding to indolyl-3-acryloylglycine (IAG, 3), and this has been confirmed by an independent synthesis.

  摘要：自闭症患者尿液的高效液相色谱分析表明存在一种未知成分，其浓度大大增加。我们已经报道了通过高效液相色谱分离该成分及其鉴定的结果。质谱、核磁共振和紫外光谱确定该峰对应于吲哚基-3-丙烯酰基甘氨酸（IAG，3），这已经通过独立合成得到了确认。