Trifluoro-methanesulfonic acid 2-[2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-5-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-3,6-dioxo-4-trifluoromethanesulfonyloxy-cyclohexa-1,4-dienyl ester | 290346-08-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Trifluoro-methanesulfonic acid 2-[2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-5-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-3,6-dioxo-4-trifluoromethanesulfonyloxy-cyclohexa-1,4-dienyl ester
• 英文别名: [5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]-3,6-dioxo-4-(trifluoromethylsulfonyloxy)cyclohexa-1,4-dien-1-yl] trifluoromethanesulfonate
• CAS: 290346-08-6
• 化学式: C₃₄H₂₈F₆N₂O₈S₂
• 分子量: 770.727
• InChiKey: MJKUWOBPLQPVNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  169
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 2-[2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-5-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-3,6-dioxo-4-trifluoromethanesulfonyloxy-cyclohexa-1,4-dienyl ester 在 氨 作用下， 以 甲醇 为溶剂， 以50%的产率得到Trifluoro-methanesulfonic acid 4-amino-2-[2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-5-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-3,6-dioxo-cyclohexa-1,4-dienyl ester
  参考文献：
  名称：

  The basal SAR of a novel insulin receptor activator

  摘要：

  The synthesis and SAR of analogues prepared from novel insulin receptor activator 1 are described. Changes to the dihydroxyquinone core were not tolerated while functionalization of the two indoles contained in 1 resulted in little effect upon activation of the insulin receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00206-7
• 作为产物：
  描述：

  三氟甲磺酸酐 、 去甲基阿斯吲醒 B1 在 2,6-二叔丁基-4-甲基吡啶 作用下， 以63%的产率得到Trifluoro-methanesulfonic acid 2-[2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-5-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-3,6-dioxo-4-trifluoromethanesulfonyloxy-cyclohexa-1,4-dienyl ester
  参考文献：
  名称：

  The basal SAR of a novel insulin receptor activator

  摘要：

  The synthesis and SAR of analogues prepared from novel insulin receptor activator 1 are described. Changes to the dihydroxyquinone core were not tolerated while functionalization of the two indoles contained in 1 resulted in little effect upon activation of the insulin receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00206-7