7-deoxynogarolic acid | 81162-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 7-deoxynogarolic acid
• CAS: 81162-98-3
• 化学式: C₂₈H₂₉NO₁₁
• 分子量: 555.538
• InChiKey: HCJWIHDLVSRZHP-ZFVBMJHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  40.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  194.29
• 氢给体数：
  6.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  7-deoxynogarolic acid 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 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：

  Methyl 23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate 在 氢氧化钾 作用下， 反应 17.0h， 以1.21 g的产率得到7-deoxynogarolic acid
  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