N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
• 英文别名: N-[1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
• 化学式: C₃₁H₄₂N₄O₅
• 分子量: 550.7
• InChiKey: WPHXYKUPFJRJDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway
  申请人：Ruat Martial

  公开号：US20120196865A1

  公开（公告）日：2012-08-02

  The present invention relates to acyl guanidine derivatives modulating the hedgehog protein signaling pathway to be used as drugs, in particular for treating diseases involving a tissue dysfunction associated with a deregulation of the hedgehog protein signaling pathway, as well as to pharmaceutical compositions containing same. The present invention also relates to novel acyl guanidine derivatives as such.

  本发明涉及酰基胍衍生物调节刺猬蛋白信号通路，用作药物，特别用于治疗涉及组织功能障碍的疾病，该功能障碍与刺猬蛋白信号通路的失调有关，以及含有同样物质的药物组合物。本发明还涉及作为新型酰基胍衍生物的物质。
• MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO
  申请人：Curis, Inc.

  公开号：EP1227805B2

  公开（公告）日：2011-02-23
• HEDGEHOG ANTAGONISTS, METHODS AND USES RELATED THERETO
  申请人：Curis, Inc.

  公开号：EP1387674B1

  公开（公告）日：2017-01-18
• DERIVES D'ACYL-GUANIDINES MODULATEURS DE LA VOIE DE SIGNALISATION DES PROTEINES HEDGEHOG
  申请人：Université de Strasbourg

  公开号：EP2456754B1

  公开（公告）日：2014-02-26
• METHODS OF INHIBITING UNWANTED CELL PROLIFERATION USING HEDGEHOG ANTAGONISTS
  申请人：DUDEK HENRYK

  公开号：US20110008333A1

  公开（公告）日：2011-01-13

  The present application is directed to compositions and methods for inhibiting angiogenesis and treating or preventing unwanted cell proliferation, including tumors, by inhibiting the hedgehog pathway, e.g., with an antagonist of the hedgehog pathway such as those disclosed herein.