(2S)-2-(1H-indol-3-yl)-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetic acid | 1217312-31-6

• 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: (2S)-2-(1H-indol-3-yl)-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetic acid
• CAS: 1217312-31-6
• 化学式: C₁₅H₁₂N₂O₄
• 分子量: 284.271
• InChiKey: KRZIGLCLXWTXEU-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  90.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  柠康酸酐 、 (S)-氨基-(1H-吲哚-3-基)-乙酸 在 溶剂黄146 作用下， 生成 (2S)-2-(1H-indol-3-yl)-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetic acid
  参考文献：
  名称：

  Design, synthesis, inhibitory activity, and binding mode study of novel DNA methyltransferase 1 inhibitors

  摘要：

  To identify novel non-nucleoside DNA methyltransferase (DNMT) inhibitors, we designed and synthesized a series of maleimide derivatives. Among this series, compounds 5-8 were found to be more potent DNMT1 inhibitors than RG108, a DNMT1 inhibitor reported previously by Siedlecki et al. The binding mode analysis of compound 5 is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.016

文献信息

• Design, synthesis, inhibitory activity, and binding mode study of novel DNA methyltransferase 1 inhibitors
  作者：Takayoshi Suzuki、Rikako Tanaka、Shohei Hamada、Hidehiko Nakagawa、Naoki Miyata

  DOI：10.1016/j.bmcl.2009.12.016

  日期：2010.2

  To identify novel non-nucleoside DNA methyltransferase (DNMT) inhibitors, we designed and synthesized a series of maleimide derivatives. Among this series, compounds 5-8 were found to be more potent DNMT1 inhibitors than RG108, a DNMT1 inhibitor reported previously by Siedlecki et al. The binding mode analysis of compound 5 is also reported. (C) 2009 Elsevier Ltd. All rights reserved.