Acetic acid 2-hydroxy-1-[2-(6-isopropyl-2-methyl-7,8-dioxo-7,8-dihydro-naphthalen-1-yl)-ethyl]-2-methyl-propyl ester | 240423-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Acetic acid 2-hydroxy-1-[2-(6-isopropyl-2-methyl-7,8-dioxo-7,8-dihydro-naphthalen-1-yl)-ethyl]-2-methyl-propyl ester
• 英文别名: 8-[3-(Acetyloxy)-4-hydroxy-4-methylpentyl]-7-methyl-3-(1-methylethyl)-1,2-naphthalenedione；[4-hydroxy-4-methyl-1-(2-methyl-7,8-dioxo-6-propan-2-ylnaphthalen-1-yl)pentan-3-yl] acetate
• CAS: 240423-24-9
• 化学式: C₂₂H₂₈O₅
• 分子量: 372.461
• InChiKey: CRWKMSGLHLLWBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-[2-(3,3-Dimethyl-oxiranyl)-ethyl]-3-isopropyl-7-methyl-[1,2]naphthoquinone 在 吡啶 、 高氯酸 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 Acetic acid 2-hydroxy-1-[2-(6-isopropyl-2-methyl-7,8-dioxo-7,8-dihydro-naphthalen-1-yl)-ethyl]-2-methyl-propyl ester
  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.