(E)-3-(3,5-dimethyl-4-{[5-(1,3-thiazol-4-ylmethoxy)pyridin-2-yl]oxy}phenyl)-1-(4-{4-[2-(4-methylphenoxy)ethyl]benzyl}piperazin-1-yl)prop-2-en-1-one | 1322777-84-3

• 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)-3-(3,5-dimethyl-4-{[5-(1,3-thiazol-4-ylmethoxy)pyridin-2-yl]oxy}phenyl)-1-(4-{4-[2-(4-methylphenoxy)ethyl]benzyl}piperazin-1-yl)prop-2-en-1-one
• 英文别名: (E)-3-[3,5-dimethyl-4-[5-(1,3-thiazol-4-ylmethoxy)pyridin-2-yl]oxyphenyl]-1-[4-[[4-[2-(4-methylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
• CAS: 1322777-84-3
• 化学式: C₄₀H₄₂N₄O₄S
• 分子量: 674.864
• InChiKey: ZAPZNJWLYHSABR-XNTDXEJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  49
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

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]。
• [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
• 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
• NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS
  申请人：Klimpel Michael

  公开号：US20120283351A1

  公开（公告）日：2012-11-08

  A new process is provided for preparing nitrile rubbers by free-radical polymerization in an organic solvent and in the presence of specific modifier substances. This polymerization may be followed by hydrogenation to give likewise new hydrogenated nitrile rubbers, the hydrogenation advantageously taking place likewise in organic solvent. The optionally hydrogenated nitrile rubbers obtained are notable for having fragments of the employed modifier substances in the main polymer chain and/or as end groups. They can he prepared with a wide diversity of molecular weights and polydispersity indices, especially with very low polydispersity indices.
• US8722663B2
  申请人：——

  公开号：US8722663B2

  公开（公告）日：2014-05-13