tert-butyl 3-[2,5-dimethoxy-4-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-7-(3-methylbut-2-enyl)indole-1-carboxylate | 290346-13-3

• 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: tert-butyl 3-[2,5-dimethoxy-4-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-7-(3-methylbut-2-enyl)indole-1-carboxylate
• CAS: 290346-13-3
• 化学式: C₃₉H₄₂N₂O₆
• 分子量: 634.772
• InChiKey: UEOSSBGKNWNXFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  47
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  99.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-[2,5-dimethoxy-4-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-7-(3-methylbut-2-enyl)indole-1-carboxylate 在 氢氧化钾 作用下， 以 二氯甲烷 为溶剂， 生成 2,5-dihydroxy-3-[7-(3-hydroxy-3-methylbutyl)-1H-indol-3-yl]-6-[1-methyl-2-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione
  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：

  二碳酸二叔丁酯 、 asterriquinone B1 在 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到tert-butyl 3-[2,5-dimethoxy-4-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-7-(3-methylbut-2-enyl)indole-1-carboxylate
  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

文献信息

• The basal SAR of a novel insulin receptor activator
  作者：Harold B. Wood、Regina Black、Gino Salituro、Deborah Szalkowski、Zhihua Li、Yan Zhang、David E. Moller、Bei Zhang、A.Brian Jones

  DOI：10.1016/s0960-894x(00)00206-7

  日期：2000.6

  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.