3-(1H-indol-3-yl)-1-methyl-3-(nitromethyl)indolin-2-one | 1446520-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(1H-indol-3-yl)-1-methyl-3-(nitromethyl)indolin-2-one
• 英文别名: 3-(1H-indol-3-yl)-1-methyl-3-(nitromethyl)indol-2-one
• CAS: 1446520-45-1
• 化学式: C₁₈H₁₅N₃O₃
• 分子量: 321.335
• InChiKey: JZOHJZPUDXMGSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吲哚 、 (e)-1-Methyl-3-(nitromethylene)indolin-2-one 在 六氟异丙醇 、 三氟甲烷磺酸亚铜(I)苯联合体 (2:1) 、 (S,S)-(-)-2,2'-异亚丙基双(4-叔丁基-2-恶唑啉) 作用下， 以 甲苯 为溶剂， 反应 47.0h， 生成 3-(1H-indol-3-yl)-1-methyl-3-(nitromethyl)indolin-2-one
  参考文献：
  名称：

  混合3,3'-双吲哚的催化不对称合成及其作为Wnt信号抑制剂的评估

  摘要：

  上一类：通过使用由手性咪唑啉氨基酚配体（1 ;参见方案）和Cu（OTf）2组成的配合物，实现了吲哚与靛红衍生的硝基烯烃的首次有效催化不对称偶联反应。Wnt信号抑制试验也证实了新形成的手性3,3'-双吲哚的生物活性。

  DOI：

  10.1002/anie.201208918

文献信息

• NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY

  公开号：US20170368015A1

  公开（公告）日：2017-12-28

  An object of the invention is to provide a compound that can be utilized as an antiviral agent, in particular as an anti-RNA viral agent, and especially as an anti-RS viral agent. The invention provides a compound indicated by Formula (1), wherein R1 each independently represent hydrogen, halogen, hydroxyl, amino, carboxyl, C1-C6 alkyl, C1-C6 alkoxyl, C1-C6 halogenoalkyl, C1-C6 alkoxycarbonyl, C1-C6 alkylamino, C2-C5 alkenyl, C3-C6 cycloalkyl, or optionally substituted aryl; R2 each independently represent hydrogen, C1-C6 alkyl, C1-C6 halogenoalkyl, C2-C5 alkenyl, C3-C6 cycloalkyl, optionally substituted aryl or heterocyclic group; and one or more R1 may be present in the same ring, an isomer thereof, a pharmaceutically acceptable salt thereof, or a mixture of these. The compounds provided by the invention are useful as drugs for the prevention or treatment of infectious diseases by virus, especially RS virus, and in particular infectious diseases in the lower airways (e.g., bronchiolitis, pneumonia, etc.).
• Catalytic Asymmetric Synthesis of Mixed 3,3′-Bisindoles and Their Evaluation as Wnt Signaling Inhibitors
  作者：Takayoshi Arai、Yushi Yamamoto、Atsuko Awata、Kentaro Kamiya、Masami Ishibashi、Midori A. Arai

  DOI：10.1002/anie.201208918

  日期：2013.2.25

  TOP class: The first efficient catalytic asymmetric coupling reaction of indoles with isatin‐derived nitroalkenes was accomplished by using a complex consisting of a chiral imidazoline aminophenol ligand (1; see scheme) and Cu(OTf)2. Biological activity of the newly formed chiral 3,3′‐bisindoles was also confirmed in a Wnt signaling inhibitory assay.

  上一类：通过使用由手性咪唑啉氨基酚配体（1 ;参见方案）和Cu（OTf）2组成的配合物，实现了吲哚与靛红衍生的硝基烯烃的首次有效催化不对称偶联反应。Wnt信号抑制试验也证实了新形成的手性3,3'-双吲哚的生物活性。