4-(2-morpholin-4-yl-ethoxy)-3-trifluoromethyl-phenylamine | 850797-93-2

• 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-(2-morpholin-4-yl-ethoxy)-3-trifluoromethyl-phenylamine
• 英文别名: 4-(2-Morpholin-4-ylethoxy)-3-(trifluoromethyl)aniline
• CAS: 850797-93-2
• 化学式: C₁₃H₁₇F₃N₂O₂
• 分子量: 290.285
• InChiKey: GYFGQPANJUVEBA-UHFFFAOYSA-N

物化性质

• 沸点：
  405.1±45.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-[2-(4-nitro-2-trifluoromethyl-phenoxy)-ethyl]-morpholine 在 5%-palladium/activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以99%的产率得到4-(2-morpholin-4-yl-ethoxy)-3-trifluoromethyl-phenylamine
  参考文献：
  名称：

  [EN] SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS
  [FR] MALONAMIDES 2-ARYLMETHYLENE-N-ARYL-N'-ARYL SUBSTITUES ET LEURS ANALOGUES UTILES COMME ACTIVATEURS DES CASPASES ET INDUCTEURS DE L'APOPTOSE

  摘要：

  公开号：

  WO2005037196A3

文献信息

• Heteroarylphenylurea Derivative
  申请人：Oikawa Nobuhiro

  公开号：US20080119466A1

  公开（公告）日：2008-05-22

  The present invention provides a compound represented by the formula (1): wherein R 1 , R 2 and R 5 are each independently selected from a hydrogen atom, a halogen atom, a C 1 -C 6 alkyl is substituted with a halogen atom and the like; R 3 and R 4 are each independently selected from a hydrogen atom, a halogen atom, a substituted C 1 -C 6 alkyl group and the like; R 6 and R 7 are each independently selected from a hydrogen atom and a halogen atom; Z 1 and Z 2 are each independently selected from a hydrogen atom, a hydroxyl group and —O(CHR 11 )OC(═O)R 12 ; Q is a group of the formula: (wherein G 1 is C—Y 2 or N; a ring A is a benzene ring or a 5- to 6-membered unsaturated heterocycle) a pharmaceutically acceptable salt thereof or a prodrug thereof.

  本发明提供了一种由式（1）表示的化合物：其中，R1、R2和R5分别独立地选自氢原子、卤原子、C1-C6烷基被卤原子等取代基；R3和R4分别独立地选自氢原子、卤原子、取代的C1-C6烷基等基团；R6和R7分别独立地选自氢原子和卤原子；Z1和Z2分别独立地选自氢原子、羟基和—O（CHR11）OC（═O）R12；Q是下式的基团：（其中，G1是C—Y2或N；环A是苯环或5-至6-成员的不饱和杂环）；其药学上可接受的盐或前药。
• Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis
  申请人：Cai Xiong Sui

  公开号：US20070043076A1

  公开（公告）日：2007-02-22

  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 abnormal cells occurs.

  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。
• HETEROARYLPHENYLUREA DERIVATIVE
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1724258A1

  公开（公告）日：2006-11-22

  The present invention provides a compound represented by the formula (1): wherein R1, R2 and R5 are each independently selected from a hydrogen atom, a halogen atom, a C1-C6 alkyl is substituted with a halogen atom and the like; R3 and R4 are each independently selected from a hydrogen atom, a halogen atom, a substituted C1-C6 alkyl group and the like; R6 and R7 are each independently selected from a hydrogen atom and a halogen atom; Z1 and Z2 are each independently selected from a hydrogen atom, a hydroxyl group and -O(CHR11)OC(=O)R12; Q is a group of the formula: (wherein G1 is C-Y2 or N; a ring A is a benzene ring or a 5- to 6-membered unsaturated heterocycle) a pharmaceutically acceptable salt thereof or a prodrug thereof.

  本发明提供了一种由式（1）表示的化合物： 其中 R1、R2 和 R5 各自独立地选自氢原子、卤素原子、被卤素原子取代的 C1-C6 烷基等； R3和R4各自独立地选自氢原子、卤素原子、被取代的C1-C6烷基等； R6 和 R7 各自独立地选自氢原子和卤素原子； Z1 和 Z2 各自独立地选自氢原子、羟基和-O(CHR11)OC(=O)R12； Q 是式中的一个基团： 其中 G1 是 C-Y2 或 N； 环 A 是苯环或 5 至 6 元不饱和杂环) 不饱和杂环) 其药学上可接受的盐或其原药。
• US8609656B2
  申请人：——

  公开号：US8609656B2

  公开（公告）日：2013-12-17
• [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：WO2005037196A3

  公开（公告）日：2005-10-13