1-(4-{[(2-(dimethylamino)ethyl)methylamino]methyl}-3-(trifluoromethyl)phenyl)-3-[4-(6-(methylamino)-purin-9-yl)phenyl]urea | 863675-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-{[(2-(dimethylamino)ethyl)methylamino]methyl}-3-(trifluoromethyl)phenyl)-3-[4-(6-(methylamino)-purin-9-yl)phenyl]urea
• 英文别名: 1-[4-[[2-(Dimethylamino)ethyl-methylamino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea
• CAS: 863675-33-6
• 化学式: C₂₆H₃₀F₃N₉O
• 分子量: 541.579
• InChiKey: ZNOUBDIMWWAVAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  10

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。
• 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