aloe-emodin ω-methyl ether | 93564-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: aloe-emodin ω-methyl ether
• 英文别名: 1,8-Dihydroxy-3-(methoxymethyl)anthracene-9,10-dione
• CAS: 93564-96-6
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.268
• InChiKey: LIESXTPMFFGYCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-Bromojuglone 、 1-methoxy-3-(methoxymethyl)-1-(trimethylsiloxy)-1,3-butadiene 生成 aloe-emodin ω-methyl ether
  参考文献：
  名称：

  Studies in anthracycline synthesis: simple Diels-Alder routes to pachybasin, .omega.-hydroxypachybasin, aloe-emodin, and fallacinol

  摘要：

  DOI：

  10.1021/jo00201a033

文献信息

• [EN] ALOE-EMODIN DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS D'ALOÉ-ÉMODINE ET LEUR UTILISATION POUR LE TRAITEMENT DU CANCER
  申请人：UNIV RAMOT

  公开号：WO2011089602A2

  公开（公告）日：2011-07-28

  The present invention relates to anthracycline derivatives that are based on an Aloe-emodin (AE) backbone attached to a glycoside (an amino sugar or amino carba-sugar). These derivatives are useful as chemotherapeutic agents. Advantageously, these derivatives are potent cytotoxic agents against a variety of anthracycline-resistant tumors. In addition, they may have reduced cardiotoxicity. As such, the novel compounds of the invention offer an advantage over currently available drugs. The present invention further relates to methods for preparing the novel Aloe-Emodin Glycoside (AEG) based derivatives, pharmaceutical compositions including such compounds, and methods of using these compounds and compositions, especially as chemotherapeutic agents for prevention and treatment of cancers.
• Studies in anthracycline synthesis: simple Diels-Alder routes to pachybasin, .omega.-hydroxypachybasin, aloe-emodin, and fallacinol
  作者：Nicholas Benfaremo、Michael P. Cava

  DOI：10.1021/jo00201a033

  日期：1985.1