(2S)-1-[[3-[3-(dimethylamino)-5-[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]piperidine-2-carboxamide | 943238-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S)-1-[[3-[3-(dimethylamino)-5-[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]piperidine-2-carboxamide
• CAS: 943238-93-5
• 化学式: C₄₄H₆₁N₅O₃
• 分子量: 708.0
• InChiKey: JBHSKWDTBMFHQK-JGWMHDEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  77.2
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Compounds and methods for inhibiting the interaction of BCL proteins with binding partners
  申请人：Castro C. Alfredo

  公开号：US20070155705A1

  公开（公告）日：2007-07-05

  The present invention relates to heterocyclic compounds that bind to Bcl proteins and inhibit Bcl function, compositions comprising such compounds, and methods for treating and modulating disorders associated with hyperproliferation, such as cancer.

  本发明涉及结合到Bcl蛋白并抑制Bcl功能的杂环化合物，包括这些化合物的组合物，以及用于治疗和调节与高增殖相关的疾病，如癌症的方法。
• COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS
  申请人：Infinity Discovery, Inc.

  公开号：EP1973875B1

  公开（公告）日：2014-06-11
• Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners
  申请人：CASTRO ALFREDO C.

  公开号：US20100190791A1

  公开（公告）日：2010-07-29

  The present invention relates to heterocyclic compounds that bind to Bcl proteins and inhibit Bcl function, compositions comprising such compounds, and methods for treating and modulating disorders associated with hyperproliferation, such as cancer.
• US7745464B2
  申请人：——

  公开号：US7745464B2

  公开（公告）日：2010-06-29
• US8304428B2
  申请人：——

  公开号：US8304428B2

  公开（公告）日：2012-11-06