methyl (2S)-2-[(2-{3-[4-(1H-3-indolyl)-1-methyl-2,5-dioxo-2,5-dihydro-1H-3-pyrrolyl]-1H-1-indolyl} acetyl) amino]-3-phenylpropanoate | 1246473-66-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (2S)-2-[(2-{3-[4-(1H-3-indolyl)-1-methyl-2,5-dioxo-2,5-dihydro-1H-3-pyrrolyl]-1H-1-indolyl} acetyl) amino]-3-phenylpropanoate
• 英文别名: methyl (2S)-2-[[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]acetyl]amino]-3-phenylpropanoate
• CAS: 1246473-66-4
• 化学式: C₃₃H₂₈N₄O₅
• 分子量: 560.609
• InChiKey: JSEUAKKOTMSQHY-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]acetic acid 、 L-苯丙氨酸甲酯 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以83%的产率得到methyl (2S)-2-[(2-{3-[4-(1H-3-indolyl)-1-methyl-2,5-dioxo-2,5-dihydro-1H-3-pyrrolyl]-1H-1-indolyl} acetyl) amino]-3-phenylpropanoate
  参考文献：
  名称：

  Synthesis of N-methyl-bisindolylmaleimide amino acid methyl ester conjugates and cytotoxicity study

  摘要：

  A novel series of N-methylbisindolylmaleimides derivatives bearing 2-acetamino acid moieties were synthesized. The cytotoxic activities of these compounds were tested in six tumor cell lines. The most potent compound 8d displayed cytotoxicity against six human tumor cell lines in the micromolar range. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.009

文献信息

• Synthesis of N-methyl-bisindolylmaleimide amino acid methyl ester conjugates and cytotoxicity study
  作者：Ke Wang、Zhan-Zhu Liu

  DOI：10.1016/j.ejmech.2010.06.009

  日期：2010.9

  A novel series of N-methylbisindolylmaleimides derivatives bearing 2-acetamino acid moieties were synthesized. The cytotoxic activities of these compounds were tested in six tumor cell lines. The most potent compound 8d displayed cytotoxicity against six human tumor cell lines in the micromolar range. (C) 2010 Elsevier Masson SAS. All rights reserved.