N-hydroxy-6-epi-stephacidin A | 1352486-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-hydroxy-6-epi-stephacidin A
• 英文别名: (1S,17R,19S)-14-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaene-24,26-dione
• CAS: 1352486-80-6
• 化学式: C₂₆H₂₉N₃O₄
• 分子量: 447.534
• InChiKey: XRIDAPFEFSQMPC-LROUJFHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 N-hydroxy-6-epi-stephacidin A 以 二甲基亚砜 为溶剂， 反应 72.0h， 以7.1%的产率得到6-epi-avrainvillamide
  参考文献：
  名称：

  Isolation and Photoinduced Conversion of 6-epi-Stephacidins from Aspergillus taichungensis

  摘要：

  Three prenylated indole alkaloids with a rare anti bicyclo-[2.2.2]diazaoctane core ring (5-7) were isolated from Aspergillus taichungensis. The structures including absolute configurations were elucidated based on NMR, X-ray, and CD methods. (+)-Versicolamides B and C (8-9) which contain a spiro-center, together with seven analogues (7, 10-15), were isolated as photoinduced conversion products of 6. Biological evaluation indicated that 6 and 7 exhibited significant cytotoxicities with IC50 values in the low micromolar range.

  DOI：

  10.1021/ol400694h