(3S,6S,12S,14R,18S,20R,21R,22R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-14,21-dimethyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡喃类
• 英文名称: (3S,6S,12S,14R,18S,20R,21R,22R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-14,21-dimethyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
• 化学式: C₄₀H₅₉NO₁₀
• 分子量: 713.9
• InChiKey: WGEWZTJGHWULLO-LJKDQIRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  51
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• METHODS AND COMPOSITIONS FOR PREDICTING RESPONSE TO ERIBULIN
  申请人：Agoulnik Sergei I.

  公开号：US20140235707A1

  公开（公告）日：2014-08-21

  The invention provides methods for predicting the efficacy of eribulin, an analog thereof, or a pharmaceutically acceptable salt thereof (e.g., eribulin mesylate), in the treatment of a subject suffering from breast cancer by determining the level of particular biomarkers in a sample derived from the subject.
• US9637795B2
  申请人：——

  公开号：US9637795B2

  公开（公告）日：2017-05-02