(E)-3-[3-chloro-4-({5-[(2-chlorobenzyl)oxy]pyridin-2-yl}oxy)-5-methylphenyl]-1-(4-{4-[2-(4-fluorophenoxy)ethyl]benzyl}piperazin-1-yl)but-2-en-1-one | 1322778-52-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (E)-3-[3-chloro-4-({5-[(2-chlorobenzyl)oxy]pyridin-2-yl}oxy)-5-methylphenyl]-1-(4-{4-[2-(4-fluorophenoxy)ethyl]benzyl}piperazin-1-yl)but-2-en-1-one
• 英文别名: (E)-3-[3-chloro-4-[5-[(2-chlorophenyl)methoxy]pyridin-2-yl]oxy-5-methylphenyl]-1-[4-[[4-[2-(4-fluorophenoxy)ethyl]phenyl]methyl]piperazin-1-yl]but-2-en-1-one
• CAS: 1322778-52-8
• 化学式: C₄₂H₄₀Cl₂FN₃O₄
• 分子量: 740.702
• InChiKey: PPPQTUXHCLBICE-RMLRFSFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.1
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS
  申请人：Takasu Hideki

  公开号：US20120283242A1

  公开（公告）日：2012-11-08

  The present invention provides a novel compound having an excellent antitumor effect. The compound of the present invention is represented by the following general formula (1) wherein R 1 and R 2 are aryl or the like; A is lower alkylene; Ring X is optionally substituted arylene; E is bond or lower alkenylene; Ring Y is optionally substituted heterocycloalkylene containing one or more nitrogen atoms, one of which is attached to the adjacent carbonyl group; G is —NH-G 2 -, —N(lower alkyl)-G 2 -, —NH—CH 2 -G 2 -, —N(lower alkyl)-CH 2 -G 2 - or —CH 2 -G 2 -, [wherein G 2 binds to R 2 , G 2 -R 2 is bond-R 2 , phenylene-G 3 -R 2 , phenylene-G 4 -O—R 2 , phenylene-G 5 -NH—R 2 , phenylene-G 6 -N(lower alkyl)-R 2 or quinolinediyl-O—R 2 , the phenylene of said phenylene-containing groups being optionally substituted with one or more substituents; G 3 -R 2 is —O-lower alkylene-R 2 or the like; G 4 -O— is lower alkylene-O— or the like; G 5 is lower alkylene; G 6 is lower alkylene].

  本发明提供了一种具有优异抗肿瘤效果的新型化合物。本发明的化合物由下述通式（1）表示，其中R1和R2为芳基或类似物；A为低级烷基；环X为可选取代的芳基；E为键或低级烯基；环Y为可选取代的杂环烷基，其中一个氮原子连接到相邻的羰基；G为—NH-G2-，—N(低级烷基)-G2-，—NH—CH2-G2-，—N(低级烷基)- -G2-或— -G2-，[其中G2与R2相连，G2-R2为键-R2，苯基-G3-R2，苯基-G4-O—R2，苯基-G5-NH—R2，苯基-G6-N(低级烷基)-R2或喹啉基-O—R2，所述苯基含有的苯基-含基团可选取代一个或多个取代基；G3-R2为—O-低级烷基-R2或类似物；G4-O—为低级烷基-O—或类似物；G5为低级烷基；G6为低级烷基]。
• DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：EP2528897B1

  公开（公告）日：2014-10-15
• US8722663B2
  申请人：——

  公开号：US8722663B2

  公开（公告）日：2014-05-13