(Z)-2-(3,5-dichloro-2-(2-morpholin-4-yl-ethoxy)-benzylidene)-N-(quinolin-6-yl)-N'-(3-trifuoromethyl-phenyl)-malonamide | 850798-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (Z)-2-(3,5-dichloro-2-(2-morpholin-4-yl-ethoxy)-benzylidene)-N-(quinolin-6-yl)-N'-(3-trifuoromethyl-phenyl)-malonamide
• 英文别名: (Z)-2-(3,5-Dichloro-2-(2-morpholin-4-yl-ethoxy)-benzylidene)-N-(quinolin-6-yl)-N'-(3-trifluoromethyl-phenyl)malonamide；(2Z)-2-[[3,5-dichloro-2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-N-quinolin-6-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
• CAS: 850798-44-6
• 化学式: C₃₂H₂₇Cl₂F₃N₄O₄
• 分子量: 659.492
• InChiKey: XLOWRXDNNAYZDL-YZSQISJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  92.8
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(quinolin-6-yl)-N'-(3-trifluoromethyl-phenyl)-malonamide 、 3,5-dichloro-2-(2-morpholin-4-yl-ethoxy)-benzaldehyde 、 、 生成 (Z)-2-(3,5-dichloro-2-(2-morpholin-4-yl-ethoxy)-benzylidene)-N-(quinolin-6-yl)-N'-(3-trifuoromethyl-phenyl)-malonamide
  参考文献：
  名称：

  Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis

  摘要：

  本发明涉及取代的2-芳基亚甲基-N-芳基-N'-芳基-马隆酰胺及其类似物。本发明还涉及发现这些化合物是caspase的激活剂和凋亡诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导各种临床情况下不受控制的异常细胞的生长和扩散。

  公开号：

  US20070043076A1

文献信息

• [EN] SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS<br/>[FR] MALONAMIDES 2-ARYLMETHYLENE-N-ARYL-N'-ARYL SUBSTITUES ET LEURS ANALOGUES UTILES COMME ACTIVATEURS DES CASPASES ET INDUCTEURS DE L'APOPTOSE
  申请人：CYTOVIA INC

  公开号：WO2005037196A2

  公开（公告）日：2005-04-28

  The present invention is directed to substituted 2-arylmethylene-N-aryl-N'-aryl-malonamides and analogs thereof. The present invention also relates to the discovery that the compounds are activators of caspases and inducers of apoptosis. Therefore, the activators os caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of anormal cells occurs.