N'-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea | 942916-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N'-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea
• 英文别名: 3-(4-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea；3-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-1,1-dimethylurea
• CAS: 942916-95-2
• 化学式: C₂₁H₂₂N₆O
• 分子量: 374.445
• InChiKey: HQTDBFXCCUUCFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]-aniline 、 二甲氨基甲酰氯 在 吡啶 作用下， 以38%的产率得到N'-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea
  参考文献：
  名称：

  Discovery of a new series of Aurora inhibitors through truncation of GSK1070916

  摘要：

  Novel Aurora inhibitors were identified truncating clinical candidate GSK1070916. Many of these truncated compounds retained potent activity against Aurora B with good antiproliferative activity. Mechanistic studies suggested that these compounds, depending on the substitution pattern, may or may not exert their antiproliferative effects via inhibition of Aurora B. The SAR results from this investigation will be presented with an emphasis on the impact structural changes have on the cellular phenotype. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.091

文献信息

• AZAINDOLE INHIBITORS OF AURORA KINASES
  申请人：DHANAK Dashyant

  公开号：US20070149561A1

  公开（公告）日：2007-06-28

  The present invention relates to a compound represented by Formula (I): and pharmaceutically acceptable salts. Compounds of the present invention inhibit Aurora kinase, making them especially suitable for the treatment of a number of diseases, including solid tumor cancers and hematological cancers.

  本发明涉及一种由化学式（I）表示的化合物： 及其药学上可接受的盐。本发明的化合物抑制极化激酶，使其特别适用于治疗多种疾病，包括实体肿瘤癌和血液系统癌症。
• Azaindole inhibitors of aurora kinases
  申请人：Dhanak Dashyant

  公开号：US20080306120A1

  公开（公告）日：2008-12-11

  The present invention relates to a compound represented by Formula (I): and pharmaceutically acceptable salts. Compounds of the present invention inhibit Aurora kinase, making them especially suitable for the treatment of a number of diseases, including solid tumor cancers and hematological cancers.

  本发明涉及一种由式（I）表示的化合物及其药学上可接受的盐。本发明的化合物抑制极化丝激酶，因此特别适用于治疗多种疾病，包括实体瘤癌和血液系统癌症。
• US7282588B2
  申请人：——

  公开号：US7282588B2

  公开（公告）日：2007-10-16
• US7419988B2
  申请人：——

  公开号：US7419988B2

  公开（公告）日：2008-09-02
• US7495102B2
  申请人：——

  公开号：US7495102B2

  公开（公告）日：2009-02-24