(E)-1-[4-(4-{2-[(4-chlorobenzyl)oxy]ethyl}benzyl)piperazin-1-yl]-3-(3,5-dimethyl-4-{[5-(pyridin-4-ylmethoxy)pyridin-2-yl]oxy}phenyl)prop-2-en-1-one | 1322781-32-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-1-[4-(4-{2-[(4-chlorobenzyl)oxy]ethyl}benzyl)piperazin-1-yl]-3-(3,5-dimethyl-4-{[5-(pyridin-4-ylmethoxy)pyridin-2-yl]oxy}phenyl)prop-2-en-1-one
• 英文别名: (E)-1-[4-[[4-[2-[(4-chlorophenyl)methoxy]ethyl]phenyl]methyl]piperazin-1-yl]-3-[3,5-dimethyl-4-[5-(pyridin-4-ylmethoxy)pyridin-2-yl]oxyphenyl]prop-2-en-1-one
• CAS: 1322781-32-7
• 化学式: C₄₂H₄₃ClN₄O₄
• 分子量: 703.281
• InChiKey: BGJUOAYGCPZETO-NTEUORMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  51
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  77
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (E)-3-(3,5-dimethyl-4-{[5-(pyridin-4-ylmethoxy)pyridin-2-yl]oxy}phenyl)-1-{4-[4-(2-hydroxyethyl)benzyl]piperazin-1-yl}prop-2-en-1-one 、 4-氯氯苄 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 4.0h， 生成 (E)-1-[4-(4-{2-[(4-chlorobenzyl)oxy]ethyl}benzyl)piperazin-1-yl]-3-(3,5-dimethyl-4-{[5-(pyridin-4-ylmethoxy)pyridin-2-yl]oxy}phenyl)prop-2-en-1-one
  参考文献：
  名称：

  [EN] DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS
  [FR] DÉRIVÉS DE PYRIDINE DI-SUBSTITUÉS COMME AGENTS ANTICANCÉREUX

  摘要：

  公开号：

  WO2011093524A9

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)-CH2-G2-或—CH2-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：Takasu Hideki

  公开号：US08722663B2

  公开（公告）日：2014-05-13

  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 R1 and R2 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-G2-, —N(lower alkyl)-G2-, —NH—CH2-G2-, —N(lower alkyl)-CH2-G2- or —CH2-G2-, [wherein G2 binds to R2, G2-R2 is bond-R2, phenylene-G3-R2, phenylene-G4-O—R2, phenylene-G5-NH—R2, phenylene-G6-N(lower alkyl)-R2 or quinolinediyl-O—R2, the phenylene of said phenylene-containing groups being optionally substituted with one or more substituents; G3-R2 is —O-lower alkylene-R2 or the like; G4-O— is lower alkylene-O— or the like; G5 is lower alkylene; G6 is lower alkylene].

  本发明提供了一种具有优异抗肿瘤效果的新化合物。本发明的化合物由以下一般式（1）表示，其中R1和R2是芳基或类似物; A是低碳链烷基; 环X是可选取代的芳基; E是键或低碳链烯烃基; 环Y是可选取代的杂环烷基，其中含有一个或多个氮原子，其中一个与相邻的羰基团结合; G是—NH-G2-, —N（低碳基）-G2-, —NH—CH2-G2-, —N（低碳基）-CH2-G2-或—CH2-G2-, [其中G2与R2结合，G2-R2是键-R2，苯基-G3-R2，苯基-G4-O—R2，苯基-G5-NH—R2，苯基-G6-N（低碳基）-R2或喹啉基-O—R2，所述苯基含基团可选地取代; G3-R2是—O-低碳链烷基-R2或类似物; G4-O—是低碳链烷基-O—或类似物; G5是低碳链烷基; G6是低碳链烷基]。
• 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
• [EN] DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS<br/>[FR] DÉRIVÉS DE PYRIDINE DI-SUBSTITUÉS COMME AGENTS ANTICANCÉREUX
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2011093524A9

  公开（公告）日：2011-12-01