2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzamide | 1341200-46-1

• 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: 2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzamide
• 英文别名: 2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
• CAS: 1341200-46-1
• 化学式: C₂₅H₃₀ClN₇O
• 分子量: 480.012
• InChiKey: VLCWMAWGVHBIGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  76.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  邻氨基-N,N-二甲基苯甲酰胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 异丙醇 、 叔丁醇 为溶剂， 反应 24.0h， 生成 2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzamide
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of a Series of Novel AXL Kinase Inhibitors

  摘要：

  The receptor tyrosine kinase AXL has emerged in recent years as an potential oncology target due to its overexpression in several types of cancers coupled with its ability to promote tumor growth and metastasis. To identify small molecule inhibitors of AXL, we built a homology model of its catalytic domain to virtually screen and identify scaffolds displaying an affinity for AXL. Further computational and structure-based design resulted in the synthesis of a series of 2,4,5-trisubstitued pyrimidines, which demonstrated potent inhibition of AXL in vitro (IC(50) = 19 nM) and strongly inhibited the growth of several pancreatic cell lines.

  DOI：

  10.1021/ml200198x

文献信息

• [EN] SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE<br/>[FR] ANALOGUES DE N-PHÉNYLPYRIMIDINE-2-AMINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE L'AXL KINASE
  申请人：UNIV UTAH RES FOUND

  公开号：WO2012135800A1

  公开（公告）日：2012-10-04

  In one aspect, the invention relates to substituted N-phenylpyrimidin-2-amine analogs, derivatives thereof, and related compounds, which are useful as inhibitors of Axl kinase; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions for treating disorders associated with dysfunction of the Axl kinase. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  该发明涉及替代的N-苯基嘧啶-2-胺类似物、其衍生物和相关化合物，它们可作为Axl激酶的抑制剂；合成这些化合物的方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与Axl激酶功能障碍相关的疾病的方法。本文摘要旨在作为在特定领域搜索的工具，并不意味着对本发明的限制。
• SUBSTITUTED N-PHENYLPYRIMIDIN-2-AMINE ANALOGS AS INHIBITORS OF THE AXL KINASE
  申请人：Bearss David J.

  公开号：US20120283261A1

  公开（公告）日：2012-11-08

  In one aspect, the invention relates to substituted N-phenylpyrimidin-2-amine analogs, derivatives thereof, and related compounds, which are useful as inhibitors of Axl kinase; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions for treating disorders associated with dysfunction of the Axl kinase. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  该发明涉及取代的N-苯基嘧啶-2-胺类似物、其衍生物和相关化合物，这些化合物可用作Axl激酶的抑制剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与Axl激酶功能障碍相关的疾病的方法。本摘要旨在作为特定领域搜索的扫描工具，不限制本发明。
• Substituted N-phenylpyrimidin-2-amine analogs as inhibitors of the Axl kinase
  申请人：Bearss David J.

  公开号：US08901120B2

  公开（公告）日：2014-12-02

  In one aspect, the invention relates to substituted N-phenylpyrimidin-2-amine analogs, derivatives thereof, and related compounds, which are useful as inhibitors of Axl kinase; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions for treating disorders associated with dysfunction of the Axl kinase. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明涉及替代N-苯基嘧啶-2-胺类似物、其衍生物及相关化合物，这些化合物可用作Axl激酶的抑制剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及利用这些化合物和组合物治疗与Axl激酶功能失调相关的疾病的方法。本文摘要旨在作为搜索特定领域的工具，不旨在限制本发明。
• AXL KINASE INHIBITORS AND USE OF THE SAME
  申请人：Sumitomo Dainippon Pharma Oncology, Inc.

  公开号：US20210205304A1

  公开（公告）日：2021-07-08

  Tartrate salts of the compound of structure (I), (I), crystalline forms thereof, and therapeutic applications thereof for treating solid tumors (e.g., advanced solid tumor) or hematopoietic cancers. Also provided herein are methods for synthesizing the tartrate salts and the crystalline forms thereof.
• US8901120B2
  申请人：——

  公开号：US8901120B2

  公开（公告）日：2014-12-02