5-Methyl-7-(2,4,6-trimethylphenyl)-1,2,4-benzotriazin-3-amine | 930273-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 5-Methyl-7-(2,4,6-trimethylphenyl)-1,2,4-benzotriazin-3-amine
• CAS: 930273-32-8
• 化学式: C₁₇H₁₈N₄
• 分子量: 278.357
• InChiKey: PXLLNEUXZHHCQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Methyl-7-(2,4,6-trimethylphenyl)-1,2,4-benzotriazin-3-amine 、 溴苯 在 tris(dibenzylideneacetone)dipalladium (0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以70%的产率得到[5-Methyl-7-(2,4,6-trimethyl-phenyl)-benzo[1,2,4]triazin-3-yl]-phenyl-amine
  参考文献：
  名称：

  Discovery and preliminary structure–activity relationship studies of novel benzotriazine based compounds as Src inhibitors

  摘要：

  We report the discovery and preliminary SAR studies of a series of structurally novel benzotriazine core based small molecules as inhibitors of Src kinase. To the best of our knowledge, benzotriazine template based compounds have not been reported as kinase inhibitors. The 3-(2-(1-pyrrolidinyl)ethoxy)phenyI analogue (43) was identified as one of the most potent inhibitors of Src kinase. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.035
• 作为产物：
  描述：

  4-溴-2-甲基-6-硝基苯胺 在 镍 盐酸 、 sodium hydroxide 、 四(三苯基膦)钯 、 氢气 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 反应 9.0h， 生成 5-Methyl-7-(2,4,6-trimethylphenyl)-1,2,4-benzotriazin-3-amine
  参考文献：
  名称：

  Discovery and preliminary structure–activity relationship studies of novel benzotriazine based compounds as Src inhibitors

  摘要：

  We report the discovery and preliminary SAR studies of a series of structurally novel benzotriazine core based small molecules as inhibitors of Src kinase. To the best of our knowledge, benzotriazine template based compounds have not been reported as kinase inhibitors. The 3-(2-(1-pyrrolidinyl)ethoxy)phenyI analogue (43) was identified as one of the most potent inhibitors of Src kinase. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.035

文献信息

• 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。
• US8481536B2
  申请人：——

  公开号：US8481536B2

  公开（公告）日：2013-07-09
• Discovery and preliminary structure–activity relationship studies of novel benzotriazine based compounds as Src inhibitors
  作者：Glenn Noronha、Kathy Barrett、Jianguo Cao、Elena Dneprovskaia、Richard Fine、Xianchang Gong、Colleen Gritzen、John Hood、Xinshan Kang、Boris Klebansky、G. Li、W. Liao、Dan Lohse、Chi Ching Mak、Andrew McPherson、Moorthy S.S. Palanki、Ved P. Pathak、Joel Renick、Richard Soll、Ute Splittgerber、Wolfgang Wrasidlo、Binqi Zeng、Ningning Zhao、Y. Zhou

  DOI：10.1016/j.bmcl.2006.08.035

  日期：2006.11

  We report the discovery and preliminary SAR studies of a series of structurally novel benzotriazine core based small molecules as inhibitors of Src kinase. To the best of our knowledge, benzotriazine template based compounds have not been reported as kinase inhibitors. The 3-(2-(1-pyrrolidinyl)ethoxy)phenyI analogue (43) was identified as one of the most potent inhibitors of Src kinase. (c) 2006 Elsevier Ltd. All rights reserved.