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 | 290346-09-7

• 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 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
• 英文别名: [4-amino-2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-5-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl] trifluoromethanesulfonate
• CAS: 290346-09-7
• 化学式: C₃₃H₃₀F₃N₃O₅S
• 分子量: 637.68
• InChiKey: FVBONVBQVQOTPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  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 在 氢氧化钾 作用下， 以44%的产率得到2-Amino-6-[2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-5-hydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-3-yl]-[1,4]benzoquinone
  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：

  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

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.