(1,2,3,4-tetrahydro-2-naphthalenylmethoxy)-methoxyhexestrol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (1,2,3,4-tetrahydro-2-naphthalenylmethoxy)-methoxyhexestrol
• 英文别名: 2-[[4-[4-(4-Methoxyphenyl)hexan-3-yl]phenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
• 化学式: C₃₀H₃₆O₂
• 分子量: 428.615
• InChiKey: OPNVPRDRWICQLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(2-{4-[7-Bromo-2-(4-bromo-but-2-ynyl)-hept-5-ynyloxy]-phenyl}-1-ethyl-butyl)-phenol 在 1,4-环己二烯 、 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 六甲基磷酰三胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 (1,2,3,4-tetrahydro-2-naphthalenylmethoxy)-methoxyhexestrol
  参考文献：
  名称：

  Target-Directed Enediynes:  Designed Estramycins

  摘要：

  The goal of selective targeting of enediyne cytotoxins has been investigated using estrogenic delivery vehicles. A series of estrogen-enediyne conjugates were assembled, and affinity for human estrogen receptor [hERalpha] was determined. The most promising candidate induced receptor degradation following Bergman cycloaromatization and caused inhibition of estrogen-induced transcription in T47-D human breast cancer cells.

  DOI：

  10.1021/jo0055842

文献信息

• Protein-Degrading Enediynes:  Library Screening of Bergman Cycloaromatization Products
  作者：Graham B. Jones、Justin M. Wright、George Hynd、Justin K. Wyatt、Molly Yancisin、Myles A. Brown

  DOI：10.1021/ol005926q

  日期：2000.6.1

  A screening method based on Bergman cycloaromatization products was applied to a compact library of estrogenic-enediyne hybrids, An enediyne candidate identified from the screen was subsequently synthesized, and it induced temperature- and concentration-dependent degradation of human estrogen receptor a upon cycloaromatization.
• Target-Directed Enediynes:  Designed Estramycins
  作者：Graham B. Jones、George Hynd、Justin M. Wright、Ajay Purohit、Gary W. Plourde、Robert S. Huber、Jude E. Mathews、Aiwen Li、Michael W. Kilgore、Glenn J. Bubley、Molly Yancisin、Myles A. Brown

  DOI：10.1021/jo0055842

  日期：2001.6.1

  The goal of selective targeting of enediyne cytotoxins has been investigated using estrogenic delivery vehicles. A series of estrogen-enediyne conjugates were assembled, and affinity for human estrogen receptor [hERalpha] was determined. The most promising candidate induced receptor degradation following Bergman cycloaromatization and caused inhibition of estrogen-induced transcription in T47-D human breast cancer cells.