methyl 1-[(3S,3'R,4'S,4aR,5'R,6aR,6bS,9S,12aS,12bS)-3',4',11,12b-tetramethyl-5'-[(2R)-2-methylbutyl]spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-oxolane]-3-yl]triazole-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 1-[(3S,3'R,4'S,4aR,5'R,6aR,6bS,9S,12aS,12bS)-3',4',11,12b-tetramethyl-5'-[(2R)-2-methylbutyl]spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-oxolane]-3-yl]triazole-4-carboxylate
• 化学式: C₃₄H₅₃N₃O₃
• 分子量: 551.8
• InChiKey: ULDKKKGKCXXPNN-IOANDZFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• CYCLOPAMINE ANALOGS
  申请人：Austad Brian

  公开号：US20090012109A1

  公开（公告）日：2009-01-08

  The invention provides novel derivatives of cyclopamine having the following formula:
• Therapeutic Cancer Treatments
  申请人：McGovern Karen J.

  公开号：US20100222287A1

  公开（公告）日：2010-09-02

  Provided are methods for treating prostate cancer by administering a therapeutically effective amount of a hedgehog inhibitor.
• METHODS OF USE OF CYCLOPAMINE ANALOGS
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20140107142A1

  公开（公告）日：2014-04-17

  The invention provides methods for treating various conditions using derivatives of cyclopamine having the following formula:
• Cyclopamine Analogs
  申请人：INFINITY PHARMACEUTICALS, INC.

  公开号：US20140371253A1

  公开（公告）日：2014-12-18

  The invention provides novel derivatives of cyclopamine having the following formula:
• US8785635B2
  申请人：——

  公开号：US8785635B2

  公开（公告）日：2014-07-22