(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-(1H-indol-5-yloxy)-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺
• 英文名称: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-(1H-indol-5-yloxy)-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
• 化学式: C₅₁H₇₄N₂O₁₂
• 分子量: 907.155
• InChiKey: HCQNNRMYQJVLBE-DQZINFAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  65
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  长川霉素 、 在 copper diacetate 作用下， 以 四氢呋喃 、 二氯甲烷 、 溶剂黄146 为溶剂， 以10%的产率得到(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-(1H-indol-5-yloxy)-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  参考文献：
  名称：

  Preparation and in vitro activities of naphthyl and indolyl ether derivatives of the FK-506 related immunosuppressive macrolide ascomycin

  摘要：

  The synthesis of naphthyl- and indolyl-ethers of the immunosuppressive macrolide ascomycin using pentavalent bismuth reagents Is described. The in vitro activities of the aryl ether analogs are reported. The indole ether analogs show increased immunosuppressive activity in vitro relative to the parent macrolide. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00398-8

文献信息

• Preparation and in vitro activities of naphthyl and indolyl ether derivatives of the FK-506 related immunosuppressive macrolide ascomycin
  作者：Peter J. Sinclair、Frederick Wong、Mary Jo Staruch、Greg Wiederrecht、William H. Parsons、Francis Dumont、Mathew Wyvratt

  DOI：10.1016/0960-894x(96)00398-8

  日期：1996.9

  The synthesis of naphthyl- and indolyl-ethers of the immunosuppressive macrolide ascomycin using pentavalent bismuth reagents Is described. The in vitro activities of the aryl ether analogs are reported. The indole ether analogs show increased immunosuppressive activity in vitro relative to the parent macrolide. Copyright (C) 1996 Elsevier Science Ltd