(2Z,4E,6S,8R,9Z,12S,20R,21E,26Z,29S)-12,29-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2Z,4E,6S,8R,9Z,12S,20R,21E,26Z,29S)-12,29-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione
• 化学式: C₄₃H₅₄N₂O₁₁
• 分子量: 774.909
• InChiKey: DUKYFBNEOVBQQG-VZBJNZQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  56
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (2Z,4E,6S,8R,9Z,12S,20R,21E,26Z,29S)-12,29-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione 在 吡啶 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 以56%的产率得到(2Z,4E,6S,8R,9Z,12S,20R,21E,26Z,29S)-20-methoxy-12,29-bis[(E)-2-methyl-3-oxohex-4-en-2-yl]-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione
  参考文献：
  名称：

  Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof

  摘要：

  本发明提供了二氢异菊烯酮及其衍生物与细胞结合分子（如肽、蛋白质、激素、血液蛋白和抗体）结合的共轭物。本发明还提供了新的二氢异菊烯酮衍生物及制造这些共轭物和二氢异菊烯酮衍生物的方法。这些化合物可用作治疗哺乳动物的生理和/或病理状况，特别是治疗各种肿瘤的药物。

  公开号：

  EP1900742A1

文献信息

• Use of Disorazoles and Their Derivatives for the Treatment of Benign and Malignant Oncoses
  申请人：Irschik Herbert

  公开号：US20090311264A1

  公开（公告）日：2009-12-17

  The invention relates to disorazoles of the general formula I, which are employed as medicaments, preferably for the treatment of oncoses, in particular in the case of pharmaceutical resistance to other active compounds and in the case of metastasizing carcinoma. The possible uses are not restricted to oncoses.