3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-{1-[2-(2-hydroxy-ethoxy)-ethyl]-1H-indol-3-yl}-pyrrole-2,5-dione | 208777-11-1

• 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-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-{1-[2-(2-hydroxy-ethoxy)-ethyl]-1H-indol-3-yl}-pyrrole-2,5-dione
• 英文别名: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione
• CAS: 208777-11-1
• 化学式: C₂₉H₃₂N₄O₄
• 分子量: 500.597
• InChiKey: YZPURXCELLQHER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  88.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-{1-[2-(2-hydroxy-ethoxy)-ethyl]-1H-indol-3-yl}-pyrrole-2,5-dione 在 4-二甲氨基吡啶 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure

  摘要：

  New inhibitors have been designed for cdc2 kinase based on a multiple pseudosubstrate structure. The new inhibitors have three different structural components: 3,4-bis(indol-3-yl)maleimide, Ac-Cys-(Ser)-Pro-Lys-Lys-NHMe, and ethyloxy group between the two components. Inhibitory activities toward cdc2 and other protein kinases were investigated, and the compound (21) with Ac-Cys-Pro-Lys-Lys-NHMe connected with the triethylene glycol spacer exhibited the most potent inhibition with relatively high selectivity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00163-2
• 作为产物：
  描述：

  在 氢氧化钾 、 ammonium acetate 、 sodium hydride 、 对甲苯磺酸 作用下， 以 甲醇 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-{1-[2-(2-hydroxy-ethoxy)-ethyl]-1H-indol-3-yl}-pyrrole-2,5-dione
  参考文献：
  名称：

  Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure

  摘要：

  New inhibitors have been designed for cdc2 kinase based on a multiple pseudosubstrate structure. The new inhibitors have three different structural components: 3,4-bis(indol-3-yl)maleimide, Ac-Cys-(Ser)-Pro-Lys-Lys-NHMe, and ethyloxy group between the two components. Inhibitory activities toward cdc2 and other protein kinases were investigated, and the compound (21) with Ac-Cys-Pro-Lys-Lys-NHMe connected with the triethylene glycol spacer exhibited the most potent inhibition with relatively high selectivity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00163-2

文献信息

• Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure
  作者：Shigeki Sasaki、Tomohiro Hashimoto、Norihiro Obana、Hideyo Yasuda、Yoshimasa Uehara、Minoru Maeda

  DOI：10.1016/s0960-894x(98)00163-2

  日期：1998.5

  New inhibitors have been designed for cdc2 kinase based on a multiple pseudosubstrate structure. The new inhibitors have three different structural components: 3,4-bis(indol-3-yl)maleimide, Ac-Cys-(Ser)-Pro-Lys-Lys-NHMe, and ethyloxy group between the two components. Inhibitory activities toward cdc2 and other protein kinases were investigated, and the compound (21) with Ac-Cys-Pro-Lys-Lys-NHMe connected with the triethylene glycol spacer exhibited the most potent inhibition with relatively high selectivity. (C) 1998 Elsevier Science Ltd. All rights reserved.