disnogamycin | 64267-46-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: disnogamycin
• 英文别名: (1R,10S,12R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
• CAS: 64267-46-5；71628-92-7
• 化学式: C₃₇H₄₇NO₁₄
• 分子量: 729.778
• InChiKey: NNEGMXMRXKXKMQ-GHXBXAOJSA-N

物化性质

• 熔点：
  212.5°C (rough estimate)
• 沸点：
  717.67°C (rough estimate)
• 密度：
  1.2604 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  52
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  203
• 氢给体数：
  5
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  disnogamycin 以 甲醇 、 氯仿 为溶剂， 反应 72.0h， 以27%的产率得到N-demethyldisnogamycin
  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

• Structure-activity relationships of nogalamycin analogs
  作者：Paul F. Wiley、David W. Elrod、David J. Houser、Floyd A. Richard

  DOI：10.1021/jm00347a016

  日期：1982.5

  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).