4'-cyano-6-methylbiphenyl-3-carboxylic acid [6-(4-thiophen-3-ylmethyl-[1,4]diazepan-1-yl)pyridin-3-yl]amide | 956698-42-3

• 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: 4'-cyano-6-methylbiphenyl-3-carboxylic acid [6-(4-thiophen-3-ylmethyl-[1,4]diazepan-1-yl)pyridin-3-yl]amide
• 英文别名: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide
• CAS: 956698-42-3
• 化学式: C₃₀H₂₉N₅OS
• 分子量: 507.659
• InChiKey: NHEGAGFJBZTEEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS
  申请人：Dierks Christine

  公开号：US20100197659A1

  公开（公告）日：2010-08-05

  The invention provides a method for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula I.

  该发明提供了一种调节刺猬信号通路活性的方法。具体来说，该发明提供了一种抑制由于Ptc功能丧失、刺猬功能增强、smoothened功能增强或Gli功能增强等表型引起的异常生长状态的方法，包括将细胞与化合物I式的足够量接触。
• COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS
  申请人：Gao Wenqi

  公开号：US20090203666A1

  公开（公告）日：2009-08-13

  The invention provides a method for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula I.

  本发明提供了一种调节刺猬信号通路活性的方法。具体而言，本发明提供了一种通过接触细胞与化合物I的足够量来抑制由于Ptc功能缺失、刺猬功能增强、平滑蛋白功能增强或Gli功能增强等表型引起的异常生长状态的方法。
• Compounds and compositions as hedgehog pathway modulators
  申请人：IRM LLC

  公开号：EP2363393A1

  公开（公告）日：2011-09-07

  The invention provides a method for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula I.

  本发明提供了一种调节刺猬信号通路活性的方法。特别是，本发明提供了一种抑制由 Ptc 功能缺失、hedgehog 功能增益、smoothened 功能增益或 Gli 功能增益等表型导致的异常生长状态的方法，该方法包括使细胞与足量的式 I 化合物接触。
• SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS
  申请人：Dorsch Marion

  公开号：US20110183962A1

  公开（公告）日：2011-07-28

  The invention provides methods for modulating, e.g., antagonizing, the activity of the Hedgehog signaling pathway, and for treating Hedgehog related disorders such as cancers (e.g., medulloblastoma). In particular, the invention provides methods for inhibiting aberrant growth states resulting from phenotypes such as Ptch loss-of-function, Hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function by administering to a mammal combinations of Smoothened inhibitors (e.g., a compound of Formula I, Formula II, or Formula III, or any of the compounds listed herein or incorporated by reference) and cholesterol biosynthesis pathway inhibitors (e.g., statins), Gli inhibitors, and/or Phosphatidylinositol 3-kinase (PI3K) inhibitors.
• US8178563B2
  申请人：——

  公开号：US8178563B2

  公开（公告）日：2012-05-15