[(2S)-4-[(1R)-1-(1,2-dimethylbenzimidazol-5-yl)but-3-enoxy]-4-oxobutan-2-yl] (E,4R,5S)-4-(2-methoxyethoxymethoxy)-5-prop-2-enoyloxyhex-2-enoate | 1210399-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [(2S)-4-[(1R)-1-(1,2-dimethylbenzimidazol-5-yl)but-3-enoxy]-4-oxobutan-2-yl] (E,4R,5S)-4-(2-methoxyethoxymethoxy)-5-prop-2-enoyloxyhex-2-enoate
• CAS: 1210399-15-7
• 化学式: C₃₀H₄₀N₂O₉
• 分子量: 572.656
• InChiKey: UTAXJKRTZCOMAM-HBXJXTDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  41
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [(2S)-4-[(1R)-1-(1,2-dimethylbenzimidazol-5-yl)but-3-enoxy]-4-oxobutan-2-yl] (E,4R,5S)-4-(2-methoxyethoxymethoxy)-5-prop-2-enoyloxyhex-2-enoate 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以98%的产率得到
  参考文献：
  名称：

  Synthesis of Macrosphelides Containing a Heterocyclic Side Chain as a Novel Apoptosis Inducer

  摘要：

  Synthesis of macrosphelides containing a pyridyl or benzimidazolyl side chain is described. The synthesis was accomplished through sequential assembling of suitable chiral blocks and ring-closing metathesis (RCM) with a high efficiency. These novel derivatives were evaluated on the apoptosis-inducing activity against human lymphoma cells.

  DOI：

  10.3987/com-09-s(s)82
• 作为产物：
  描述：

  、 丙烯酸 在 2,4,6-三氯苯甲酰氯 、 三乙胺 、 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以80%的产率得到[(2S)-4-[(1R)-1-(1,2-dimethylbenzimidazol-5-yl)but-3-enoxy]-4-oxobutan-2-yl] (E,4R,5S)-4-(2-methoxyethoxymethoxy)-5-prop-2-enoyloxyhex-2-enoate
  参考文献：
  名称：

  Synthesis of Macrosphelides Containing a Heterocyclic Side Chain as a Novel Apoptosis Inducer

  摘要：

  Synthesis of macrosphelides containing a pyridyl or benzimidazolyl side chain is described. The synthesis was accomplished through sequential assembling of suitable chiral blocks and ring-closing metathesis (RCM) with a high efficiency. These novel derivatives were evaluated on the apoptosis-inducing activity against human lymphoma cells.

  DOI：

  10.3987/com-09-s(s)82

文献信息

• Synthesis of Macrosphelides Containing a Heterocyclic Side Chain as a Novel Apoptosis Inducer
  作者：Yuji Matsuya、Hideo Nemoto、Ayana Hori、Tomomi Kawamura、Heba F. Emam、Kanwal Ahmed、Takashi Kondo、Naoki Toyooka

  DOI：10.3987/com-09-s(s)82

  日期：——

  Synthesis of macrosphelides containing a pyridyl or benzimidazolyl side chain is described. The synthesis was accomplished through sequential assembling of suitable chiral blocks and ring-closing metathesis (RCM) with a high efficiency. These novel derivatives were evaluated on the apoptosis-inducing activity against human lymphoma cells.