(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide
• 化学式: C₅₂H₄₅N₃O₈
• 分子量: 839.9
• InChiKey: VHVVRIVWQQZLJL-UFQOJQOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  63
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY
  申请人：Moon Randall T.

  公开号：US20120040916A1

  公开（公告）日：2012-02-16

  The present invention is directed toward a method of treating a subject for a condition mediated by the Wnt/β-catenin pathway by selecting a subject with a condition mediated by the Wnt/β-catenin pathway and administering to the selected subject a compound selected from the group consisting of those set forth in Table 1, Table 2, and a pharmaceutically acceptable salt thereof. A method of similarly inhibiting the Wnt/β-catenin pathway in a subject is also disclosed.