3-oxosaprorthoquinone

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-oxosaprorthoquinone
• 英文别名: salvisyrianone；4,5-seco-5,10-friedo-5(10),6,8,13-abietatetraene-3,11,12-trione；7-methyl-8-(4-methyl-3-oxopentyl)-3-propan-2-ylnaphthalene-1,2-dione
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: KDNPHTQAHFLSCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  红根草邻醌 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 以85%的产率得到8-[2-(3,3-Dimethyl-oxiranyl)-ethyl]-3-isopropyl-7-methyl-[1,2]naphthoquinone
  参考文献：
  名称：

  Synthesis and antitumour activity of novel diterpenequinone salvicine and the analogs

  摘要：

  A novel diterpenequinone named salvicine (4), structurally modified derivative of a natural product, and a series of the novel analogs have been prepared. Most of the analogs were found to be potently active against tumor cell lines in vitro. Further study on 4 in vivo demonstrated that it possessed a significant antineoplastic activity against murine S-180 Sarcoma and Lewis lung cancer, and human lung adenocarcinoma xenografts A-549 and LAX-83. The preclinical studies of 4 are now under way.

  DOI：

  10.1016/s0960-894x(99)00472-2

文献信息

• Synthesis and antitumour activity of novel diterpenequinone salvicine and the analogs
  作者：Jin-Sheng Zhang、Jian Ding、Qin-Mei Tang、Mai Li、Ming Zhao、Li-Juan Lu、Ling-Ji Chen、Sheng-Tao Yuan

  DOI：10.1016/s0960-894x(99)00472-2

  日期：1999.9

  A novel diterpenequinone named salvicine (4), structurally modified derivative of a natural product, and a series of the novel analogs have been prepared. Most of the analogs were found to be potently active against tumor cell lines in vitro. Further study on 4 in vivo demonstrated that it possessed a significant antineoplastic activity against murine S-180 Sarcoma and Lewis lung cancer, and human lung adenocarcinoma xenografts A-549 and LAX-83. The preclinical studies of 4 are now under way.

表征谱图