2-cyclohexenyl-1-methyl-1H-indole | 1472637-42-5

• 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: 2-cyclohexenyl-1-methyl-1H-indole
• 英文别名: 2-(Cyclohexen-1-yl)-1-methylindole
• CAS: 1472637-42-5
• 化学式: C₁₅H₁₇N
• 分子量: 211.307
• InChiKey: VLSFGJIHVUCHHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-甲基吲哚-2-甲酸 在 1,10-菲罗啉 、 palladium(II) hexafluoroacetylacetonate 、 三(1-萘基)膦 、 potassium tert-butylate 、 copper(l) chloride 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 均三甲苯 为溶剂， 反应 19.0h， 生成 2-cyclohexenyl-1-methyl-1H-indole
  参考文献：
  名称：

  Arylalkene Synthesis via Decarboxylative Cross-Coupling of Alkenyl Halides

  摘要：

  A bimetallic catalyst system generated from readily available palladium(II) and copper(I) salts, 1,10-phenanthroline and tri-1-naphthylphosphine was found to efficiently mediate the decarboxylative cross-coupling of alkenyl bromides and chlorides with aromatic carboxylates. It allows the regiospecific synthesis of a broad range of aryl- and heteroarylalkenes in high yields.

  DOI：

  10.1021/ol500876x

文献信息

• Novel multicyclic compounds and the use thereof
  申请人：——

  公开号：US20020028815A1

  公开（公告）日：2002-03-07

  The present invention is directed to novel multicyclic molecules that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of PARP, VEGFR2, and MLK3 enzymes, including, for example, neurodegenerative diseases, inflammation, ischemia, and cancer.

  本发明涉及介导酶活性的新型多环分子。具体而言，这些化合物可能在治疗与PARP、VEGFR2和MLK3酶活性相关的疾病或疾病状态方面具有有效性，例如神经退行性疾病、炎症、缺血和癌症。
• NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF
  申请人：Chatterjee Sankar

  公开号：US20110059959A1

  公开（公告）日：2011-03-10

  The present invention is directed to novel multicyclic molecules that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of PARP, VEGFR2, and MLK3 enzymes, including, for example, neurodegenerative diseases, inflammation, ischemia, and cancer.

  本发明涉及新型多环分子，可介导酶活性。特别是，这些化合物可以在治疗与PARP、VEGFR2和MLK3酶活性相关的疾病或疾病状态方面发挥作用，包括例如神经退行性疾病、炎症、缺血和癌症。
• Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes
  申请人：CEPHALON, INC.

  公开号：EP2050750A2

  公开（公告）日：2009-04-22

  The present invention is directed to novel multicyclic molecules that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of PARP, VEGFR2, and MLK3 enzymes, including, for example, neurodegenerative diseases, inflammation, ischemia, and cancer.

  本发明涉及介导酶活性的新型多环分子。特别是，这些化合物可有效治疗与 PARP、VEGFR2 和 MLK3 酶活性有关的疾病或疾病状态，例如包括神经退行性疾病、炎症、缺血和癌症。
• MULTICYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES
  申请人：CEPHALON, INC.

  公开号：EP1294725B1

  公开（公告）日：2006-01-04
• US7122679B2
  申请人：——

  公开号：US7122679B2

  公开（公告）日：2006-10-17