Acetylderivat des 4-Desmethyl-7'-dehydroxy-podophyllotoxins | 111142-77-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• 英文名称: Acetylderivat des 4-Desmethyl-7'-dehydroxy-podophyllotoxins
• 英文别名: 4'-Acetyl-4'-demethyl-desoxypodophyllotoxin；[4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] acetate
• CAS: 111142-77-9
• 化学式: C₂₃H₂₂O₈
• 分子量: 426.423
• InChiKey: AKGBMFQXMWKUPB-DLPLYFIVSA-N

物化性质

• 沸点：
  559.8±50.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  去氧鬼臼毒素 在 吡啶 、 氢溴酸 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 15.0h， 生成 Acetylderivat des 4-Desmethyl-7'-dehydroxy-podophyllotoxins
  参考文献：
  名称：

  Immunosuppressive Cyclolignans

  摘要：

  The immunosuppressive activity of several lactonic, nonlactonic, and heterocycle-fused cyclolignans has been demonstrated for the first time by use of a T-cell-mediated immune response. Of the compounds tested, 4'-demethyldeoxypodophyllotoxin (8), beta-apopicropodophyllin (6), and the isoxazoline-fused cyclolignan 15 are the most potent with respect to their suppression of activated splenocytes.

  DOI：

  10.1021/jm960023h

文献信息

• Alkyl and carboxylalkyl esters of 4′-demethyl-4-deoxypodophyllotoxin: synthesis, cytotoxic, and antitumor activity
  作者：Young-Jae You、Yong Kim、Nguyen-Hai Nam、Seong-Cheol Bang、Byung-Zun Ahn

  DOI：10.1016/j.ejmech.2003.10.002

  日期：2004.2

  Esters of 4'-demethyl-4-deoxypodophyllotxin (DDPT) with alkanoic acids and alkanedioic acids were prepared and tested for cytotoxic and antitumor activity. Among 19 esters, esters of propanoic acid, tetradecanedioic acid. 13-carboxyundecanoic acid, and hexadecanedioic acid improved the antitumor activity compared with that of the starting compounds, DDPT. (C) 2003 Elsevier SAS. All rights reserved.