4-[[(2S)-1-[[(2S)-1-[[5-[[(19S)-8-bromo-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxy]-2,2-difluoro-5-oxopentyl]amino]-5-hydrazinyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: 4-[[(2S)-1-[[(2S)-1-[[5-[[(19S)-8-bromo-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxy]-2,2-difluoro-5-oxopentyl]amino]-5-hydrazinyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
• 化学式: C₃₉H₄₆BrF₂N₇O₁₀
• 分子量: 890.7
• InChiKey: AAXZSLPZFBTFKX-ZUGCHNFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  59
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  248
• 氢给体数：
  6
• 氢受体数：
  15

文献信息

• [EN] FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES<br/>[FR] DÉRIVÉS DE 9-BROMOCAMPTOTHÉCINE FONCTIONNALISÉS
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2014067960A2

  公开（公告）日：2014-05-08

  The present invention relates to new functionalized 9-bromo-camptothecin derivatives which have cytotoxic activity and are useful in treating diseases such as cancer, cellular proliferation disorders and viral infections. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising them and methods of treating diseases utilizing such compounds or the pharmaceutical composition containing them. The invention also relates to the use of these functionalized 9-bromo-camptothecin derivatives in the preparation of conjugates.