5-[[6-[[(5S,5aR,8aR,9R)-9-[4-[2-(dimethylamino)acetyl]oxy-3,5-dimethoxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-oxopentanoic acid

• 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: 5-[[6-[[(5S,5aR,8aR,9R)-9-[4-[2-(dimethylamino)acetyl]oxy-3,5-dimethoxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-oxopentanoic acid
• 化学式: C₃₈H₄₅NO₁₇
• 分子量: 787.8
• InChiKey: VXTFRRPYUNKRRW-SICLIQTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  56
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  214
• 氢给体数：
  2
• 氢受体数：
  18

文献信息

• ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY
  申请人：Demeule Michel

  公开号：US20120135914A1

  公开（公告）日：2012-05-31

  The invention relates to improvements in the field of drug delivery. More particularly, the invention relates to polypeptides having a hydrolyzable covalent bond to a therapeutic agent that includes, etoposide, etoposide 4′-dimethylglycine or doxorubicin. These polypeptide conjugates can be used as vectors to transport the podophyllotoxin derivative across the blood brain barrier (BBB) or into particular cell types such as ovary, liver, lung, or kidney. The invention also relates to pharmaceutical compositions that include the compounds of the invention and to uses thereof in methods of treatment.
• US8828925B2
  申请人：——

  公开号：US8828925B2

  公开（公告）日：2014-09-09