N-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-phenylalanyl-N-(5-{[(4S)-10-bromo-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl]oxy}-2,2-difluoro-5-oxopentyl)-L-leucinamide | 1609075-37-7

• 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: N-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-L-phenylalanyl-N-(5-{[(4S)-10-bromo-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl]oxy}-2,2-difluoro-5-oxopentyl)-L-leucinamide
• 英文别名: [(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] 5-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4,4-difluoropentanoate
• CAS: 1609075-37-7
• 化学式: C₅₀H₅₃BrF₂N₆O₁₀
• 分子量: 1015.91
• InChiKey: QGJBASPVWBSWFJ-TUTDPUJXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  69
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  211
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• FUNCTIONALIZED 9-BROMO-CAMPTOTHECIN DERIVATIVES
  申请人：NERVIANO MEDICAL SCIENCES S.R.L.

  公开号：US20150291613A1

  公开（公告）日：2015-10-15

  The present invention relates to new functionalized 9-bromo-camptothecin derivatives (I) 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.

  本发明涉及新的功能化9-溴喜树碱衍生物(I)，具有细胞毒性活性，可用于治疗癌症、细胞增殖紊乱和病毒感染等疾病。本发明还提供制备这些化合物的方法、包含它们的药物组合物以及利用这些化合物或包含它们的药物组合物治疗疾病的方法。本发明还涉及在制备共轭物时使用这些功能化9-溴喜树碱衍生物的用途。
• US9556192B2
  申请人：——

  公开号：US9556192B2

  公开（公告）日：2017-01-31
• [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.