[6-({5-[(2-chlorobenzyl)oxy]pyridin-2-yl}oxy)naphthalen-2-yl][4-(4-{2-[4-(propan-2-yl)phenoxy]ethyl}benzyl)piperazin-1-yl]methanone | 1322777-12-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [6-({5-[(2-chlorobenzyl)oxy]pyridin-2-yl}oxy)naphthalen-2-yl][4-(4-{2-[4-(propan-2-yl)phenoxy]ethyl}benzyl)piperazin-1-yl]methanone
• 英文别名: [6-[5-[(2-Chlorophenyl)methoxy]pyridin-2-yl]oxynaphthalen-2-yl]-[4-[[4-[2-(4-propan-2-ylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]methanone
• CAS: 1322777-12-7
• 化学式: C₄₅H₄₄ClN₃O₄
• 分子量: 726.315
• InChiKey: HLWMSZFPBJIRIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  53
• 可旋转键数：
  13
• 环数：
  7.0
• 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：
  6

文献信息

• [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：WO2011093524A1

  公开（公告）日：2011-08-04

  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-cotnaining 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].