7-Deoxynogarol | 71582-53-1

• 英文名称: 7-Deoxynogarol
• CAS: 71582-53-1；113532-66-4；116838-50-7
• 化学式: C₂₇H₂₉NO₉
• 分子量: 511.529
• InChiKey: OTDXULFSLVOPKT-QZRIWKJYSA-N

物化性质

• 沸点：
  834.1±65.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  37.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  156.99
• 氢给体数：
  5.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  7-Deoxynogarol 以 甲醇 、 氯仿 为溶剂， 以29%的产率得到N-formyl-N-demethyl-7-deoxynogarol
  参考文献：
  名称：

  Structure-activity relationships of nogalamycin analogs

  摘要：

  Nogalamycin (1) has been modified by changes at C-10 and C-7 and in the dimethylamino group to prepare an extensive series of analogues. The chemistry involved in the modifications and structure--activity relationships among these nogalamycin analogues are discussed, as well as comparisons with previously reported compounds 1, 7-con-O-methylnogarol (2), and disnogamycin (11).

  DOI：

  10.1021/jm00347a016
• 作为产物：
  描述：

  7-deoxynogarolic acid 以 N,N-二甲基甲酰胺 为溶剂， 以101 mg的产率得到7-Deoxynogarol
  参考文献：
  名称：

  Structure-activity relationships of nogalamycin analogs

  摘要：

  Nogalamycin (1) has been modified by changes at C-10 and C-7 and in the dimethylamino group to prepare an extensive series of analogues. The chemistry involved in the modifications and structure--activity relationships among these nogalamycin analogues are discussed, as well as comparisons with previously reported compounds 1, 7-con-O-methylnogarol (2), and disnogamycin (11).

  DOI：

  10.1021/jm00347a016

文献信息

• Formation and reaction of the quinone methide from reductive cleavage of the antitumor drug menogaril
  作者：Marybeth Boldt、Giorgio Gaudiano、Makhluf J. Haddadin、Tad H. Koch

  DOI：10.1021/ja00188a050

  日期：1989.3
• Formation and autocatalytic destruction of the quinone methide from reductive cleavage of Menogaril
  作者：Marybeth. Boldt、Giorgio. Gaudiano、Makhluf J. Haddadin、Tad H. Koch

  DOI：10.1021/ja00218a070

  日期：1988.5
• Trapping of the quinone methide from reductive cleavage of menogaril with the nitrogen nucleophile imidazole
  作者：Giorgio Gaudiano、Michael Egholm、Makhluf J. Haddadin、Tad H. Koch

  DOI：10.1021/jo00282a024

  日期：1989.10