7-(2,6-dimethyl-phenyl)-N5-methyl-N3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[1,2,4]triazine-3,5-diamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-(2,6-dimethyl-phenyl)-N5-methyl-N3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[1,2,4]triazine-3,5-diamine
• 英文别名: 7-(2,6-dimethylphenyl)-N5-methyl-N3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazine-3,5-diamine；7-(2,6-dimethylphenyl)-5-N-methyl-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazine-3,5-diamine
• 化学式: C₂₈H₃₂N₆O
• 分子量: 468.602
• InChiKey: VPQXLOMEHCTHBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  7-(2,6-dimethyl-phenyl)-N3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[1,2,4]triazine-3,5-diamine 、 氯甲烷 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 7-(2,6-dimethyl-phenyl)-N5-methyl-N3-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[1,2,4]triazine-3,5-diamine
  参考文献：
  名称：

  Discovery of [7-(2,6-dichlorophenyl)-5-methylbenzo [1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]amine—a potent, orally active Src kinase inhibitor with anti-tumor activity in preclinical assays

  摘要：

  We describe the identification of [7-(2,6-dichlorophenyl)-5-methylbenzo [1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-l-ylethoxy)phenyl]amine (3), a potent, orally active Src inhibitor with desirable PK properties, demonstrated activity in human tumor cell lines and in animal models of tumor growth. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.006

文献信息

• Benzotriazine inhibitors of kinases
  申请人：Noronha Glenn

  公开号：US20050245524A1

  公开（公告）日：2005-11-03

  The invention provides benzotriazine compounds having formula (I). The benzotriazine compounds of the invention are capable of inhibiting kinases, such members of the Src kinase family, and various other specific receptor and non-receptor kinases.

  该发明提供了具有化学式（I）的苯并三唑化合物。该发明的苯并三唑化合物能够抑制激酶，如Src激酶家族成员，以及其他特定的受体和非受体激酶。
• Benzotriazine Inhibitors of Kinases
  申请人：Gong Xianchang

  公开号：US20090275569A1

  公开（公告）日：2009-11-05

  The invention provides benzotriazine compounds having formula (I). The benzotriazine compounds of the invention are capable of inhibiting kinases, such members of the Src kinase family, and various other specific receptor and non-receptor kinases.

  该发明提供了具有公式（I）的苯并三氮唑化合物。该发明的苯并三氮唑化合物能够抑制激酶，例如Src激酶家族的成员以及其他特定的受体和非受体激酶。
• BENZOTRIAZINE INHIBITORS OF KINASES
  申请人：Gong Xianchang

  公开号：US20110294796A1

  公开（公告）日：2011-12-01

  The invention provides benzotriazine compounds having formula (I). The benzotriazine compounds of the invention are capable of inhibiting kinases, such members of the Src kinase family, and various other specific receptor and non-receptor kinases.

  本发明提供具有公式（I）的苯并三氮唑化合物。本发明的苯并三氮唑化合物能够抑制激酶，如Src激酶家族成员以及其他特定的受体和非受体激酶。
• EP1809614B1
  申请人：——

  公开号：EP1809614B1

  公开（公告）日：2014-05-07
• US7456176B2
  申请人：——

  公开号：US7456176B2

  公开（公告）日：2008-11-25