N,N'-bis[3-[2-[2-[3-[3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]propanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanediamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis[3-[2-[2-[3-[3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]propanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanediamide
• 化学式: C₈₇H₁₁₄N₁₈O₁₂
• 分子量: 1603.98
• InChiKey: QYIJKEDGDMKVOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  117
• 可旋转键数：
  52
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  344
• 氢给体数：
  8
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  N,N'-bis[3-[2-[2-[3-(3-piperazin-1-ylpropanoylamino)propoxy]ethoxy]ethoxy]propyl]pentanediamide 、 4-氯甲基-N-[4-甲基-3-[[4-(吡啶-3-基)嘧啶-2-基]氨基]苯基]苯甲酰胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以12%的产率得到N,N'-bis[3-[2-[2-[3-[3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]propanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanediamide
  参考文献：
  名称：

  BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF

  摘要：

  公开号：

  EP3133069B1

文献信息

• BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof
  申请人：CHENGDU UNIVERSITY

  公开号：US20170037061A1

  公开（公告）日：2017-02-09

  Disclosed are compounds or pharmaceutically acceptable salts thereof having the following general formula: R-Linker-R. The compounds or pharmaceutically acceptable salts thereof provided by the present invention are used as Bcr-Abl diploid inhibitors, which can effectively inhibit the activity of tyrosine kinase, are applicable in treating diseases concerning abnormal activation of such kinases, and have good effects in treating malignant tumors. The method for preparing such inhibitors is simple and convenient, has low cost, and has good application prospects.
• US9969753B2
  申请人：——

  公开号：US9969753B2

  公开（公告）日：2018-05-15
• BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF
  申请人：Shenzhen Yongze Pharmaceutical Co., Ltd.

  公开号：EP3133069B1

  公开（公告）日：2019-09-18