5-Carboxy-2-methyl-indolyl-(3)-essigsaeure | 17222-84-3

• 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: 5-Carboxy-2-methyl-indolyl-(3)-essigsaeure
• 英文别名: 3-(carboxymethyl)-2-methyl-1H-indole-5-carboxylic acid
• CAS: 17222-84-3
• 化学式: C₁₂H₁₁NO₄
• mdl: MFCD02664401
• 分子量: 233.224
• InChiKey: WFDFYPLSWRHIPX-UHFFFAOYSA-N

物化性质

• 沸点：
  555.6±45.0 °C(Predicted)
• 密度：
  1.474±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.4
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

文献信息

• PHARMACEUTICAL COMPOSITION AND METHOD
  申请人：Slade Rachel M.

  公开号：US20090155903A1

  公开（公告）日：2009-06-18

  The invention provides compounds, pharmaceutical compositions and methods for the therapeutic treatment and prevention of neurodegenerative disorder and other Aβ 42 -related diseases and disorders.

  该发明提供了化合物、制药组合物和方法，用于治疗和预防神经退行性疾病和其他与Aβ42相关的疾病和障碍。
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  申请人：TOMKINSON Alan E.

  公开号：US20100099683A1

  公开（公告）日：2010-04-22

  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
• Compounds that inhibit human DNA ligases and methods of treating cancer
  申请人：University of Maryland, Baltimore

  公开号：US20140113891A1

  公开（公告）日：2014-04-24

  Methods for treating cancer using compounds that inhibit human DNA ligases. Methods for using compounds that inhibit human DNA ligases to provide insights into the reaction mechanisms of human DNA ligases, for example to identify the human DNA ligase involved in different DNA repair pathways. Screening methods for compounds that inhibit human DNA ligases.
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  申请人：——

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  公开（公告）日：2013-05-21
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  公开号：US9073896B2

  公开（公告）日：2015-07-07