1-(4-(4-(2-chloro-5-fluoropyrimidine-4-ylamino)-3-(difluoromethoxy)phenyl)piperazin-1-yl)ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(4-(2-chloro-5-fluoropyrimidine-4-ylamino)-3-(difluoromethoxy)phenyl)piperazin-1-yl)ethanone
• 英文别名: 1-(4-(4-(2-Chloro-5-fluoropyrimidine-4-ylamino)-3-(difluoromethoxy)phenyl)piperazin-1-yl)ethanone；1-[4-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(difluoromethoxy)phenyl]piperazin-1-yl]ethanone
• 化学式: C₁₇H₁₇ClF₃N₅O₂
• 分子量: 415.802
• InChiKey: BFHJRAUOVNSJJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  70.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-(4-氨基-3-甲氧基苯基)哌嗪-1-羧酸叔丁酯 、 1-(4-(4-(2-chloro-5-fluoropyrimidine-4-ylamino)-3-(difluoromethoxy)phenyl)piperazin-1-yl)ethanone 在 乙酸乙酯 、 Sodium sulfate-III 作用下， 以 HCl ethoxyethanol 为溶剂， 反应 16.0h， 以to obtain a target compound (100 mg, 22%)的产率得到1-(4-(3-(difluoromethoxy)-4-(5-fluoro-2-(2-methoxy-4-(piperazin-1-yl)phenylamino)pyrimidin-4-ylamino)phenyl)piperazin-1-yl)ethanone
  参考文献：
  名称：

  N2,N4-bis(4-(piperazine-1-yl)phenyl)pirimidine-2,4-diamine derivative or pharmaceutically acceptable salt thereof, and composition containing same as active ingredient for preventing or treating cancer

  摘要：

  本发明涉及一种新的N2，N4-双（4-（哌嗪-1-基）苯基）嘧啶-2,4-二胺衍生物或其药学上可接受的盐以及包含其作为活性成分的预防或治疗癌症的制药组合物。本发明的化合物对间变性淋巴瘤激酶（ALK）和激活的cdc42相关激酶（ACK1）的活性具有优异的抑制作用，因此可以提高治疗具有间变性淋巴瘤激酶融合蛋白（如EML4-ALK和NPM-ALK）的癌细胞的治疗效果，并有效地预防癌症的复发，因此是一种用于预防和治疗癌症的制药组合物。

  公开号：

  US09199944B2

文献信息

• N2,N4-bis(4-(piperazine-1-yl)phenyl)pirimidine-2,4-diamine derivative or pharmaceutically acceptable salt thereof, and composition containing same as active ingredient for preventing or treating cancer
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US09199944B2

  公开（公告）日：2015-12-01

  Disclosed herein are a new N2,N4-bis(4-(piperazin-1-yl)phenyl)pyrimidin-2,4-diamine derivative or a pharmaceutically acceptable salt thereof and a pharmaceutical composition for the prevention or treatment of cancers containing the same as an active ingredient. The compound of the present invention has excellent inhibitory effects against the activities of anaplastic lymphoma kinase (ALK) and activated cdc42-associated kinase (ACK1) and thus can improve the therapeutic effects on the treatment of cancer cells having anaplastic lymphoma kinase fusion proteins such as EML4-ALK and NPM-ALK, and also effectively prevent the recurrence of cancers thus being useful as a pharmaceutical composition for the prevention and treatment of cancers.

  本发明涉及一种新的N2，N4-双（4-（哌嗪-1-基）苯基）嘧啶-2,4-二胺衍生物或其药学上可接受的盐以及包含其作为活性成分的预防或治疗癌症的制药组合物。本发明的化合物对间变性淋巴瘤激酶（ALK）和激活的cdc42相关激酶（ACK1）的活性具有优异的抑制作用，因此可以提高治疗具有间变性淋巴瘤激酶融合蛋白（如EML4-ALK和NPM-ALK）的癌细胞的治疗效果，并有效地预防癌症的复发，因此是一种用于预防和治疗癌症的制药组合物。
• N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP2883875B1

  公开（公告）日：2016-12-28
• US9199944B2
  申请人：——

  公开号：US9199944B2

  公开（公告）日：2015-12-01
• N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20150152069A1

  公开（公告）日：2015-06-04

  Disclosed herein are a new N2,N4-bis(4-(piperazin-1-yl)phenyl)pyrimidin-2,4-diamine derivative or a pharmaceutically acceptable salt thereof and a pharmaceutical composition for the prevention or treatment of cancers containing the same as an active ingredient. The compound of the present invention has excellent inhibitory effects against the activities of anaplastic lymphoma kinase (ALK) and activated cdc42-associated kinase (ACK1) and thus can improve the therapeutic effects on the treatment of cancer cells having anaplastic lymphoma kinase fusion proteins such as EML4-ALK and NPM-ALK, and also effectively prevent the recurrence of cancers thus being useful as a pharmaceutical composition for the prevention and treatment of cancers.

  本文披露了一种新的N2,N4-双(4-(哌嗪-1-基)苯基)嘧啶-2,4-二胺衍生物或其药用可接受的盐，以及一种包含该衍生物作为活性成分的用于预防或治疗癌症的药物组合物。本发明的化合物对间变性淋巴瘤激酶（ALK）和活化cdc42相关激酶（ACK1）的活性具有出色的抑制作用，从而可以改善对具有间变性淋巴瘤激酶融合蛋白（如EML4-ALK和NPM-ALK）的癌细胞的治疗效果，并有效预防癌症的复发，因此可作为一种用于预防和治疗癌症的药物组合物而具有实用性。