[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12-methoxy-2,5,9,16,20-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2R)-2-[methyl-[3-[1-[[4-(methylcarbamoyl)cyclohexyl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]propanoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12-methoxy-2,5,9,16,20-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2R)-2-[methyl-[3-[1-[[4-(methylcarbamoyl)cyclohexyl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]propanoate
• 化学式: C₄₈H₆₆ClN₅O₁₂S
• 分子量: 972.6
• InChiKey: HCBFTZTYTUXIOK-CDUUKDODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  67
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  239
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• COMPOSITIONS AND METHODS FOR TREATING CANCER
  申请人：Santen Richard J.

  公开号：US20140161827A1

  公开（公告）日：2014-06-12

  The present invention provides combination therapies useful for treating cancer, particularly breast cancer. The invention provides, in various embodiments, methods of treating a cancer, comprising administering to a patient afflicted therewith of an effective amount an immunoconjugate comprising a monoclonal antibody moiety and a first pro-apoptotic drug moiety linked thereto; and administering to the patient an effective amount of a second pro-apoptotic drug. The monoclonal antibody moiety of the immunoconjugate can act to target receptors of hormone-resistant breast cancer cells, such as HER2. Synergistic effects can be seen when the two pro-apoptotic drugs, acting by a common molecular mechanism (vertical modulation) or different molecular mechanisms (horizontal modulation) are administered to patients afflicted by breast cancer, such as hormone-resistant breast cancer.