2-硝基-4-溴苯基胍 | 119707-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-硝基-4-溴苯基胍
• 英文名称: 2-nitro-4-bromophenylguanidine
• 英文别名: 1-(4-Bromo-2-nitrophenyl)guanidine；2-(4-bromo-2-nitrophenyl)guanidine
• CAS: 119707-95-8
• 化学式: C₇H₇BrN₄O₂
• 分子量: 259.062
• InChiKey: DLGJNDZCRZRBGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-硝基-4-溴苯基胍 在 镍 sodium hydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 反应 4.5h， 生成 3-氨基-7-溴-1,2,4-苯并三嗪
  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
• 作为产物：
  描述：

  氰胺 、 4-溴-2-硝基苯胺 在 盐酸 作用下， 反应 1.5h， 生成 2-硝基-4-溴苯基胍
  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

• 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.
• PAZDERA, P.;POTACEK, M., CHEM. PAP., 42,(1988) N 4, 527-537
  作者：PAZDERA, P.、POTACEK, M.

  DOI：——

  日期：——
• US3976643A
  申请人：——

  公开号：US3976643A

  公开（公告）日：1976-08-24
• 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
  作者：Glenn Noronha、Kathy Barrett、Antonio Boccia、Tessa Brodhag、Jianguo Cao、Chun P. Chow、Elena Dneprovskaia、John Doukas、Richard Fine、Xianchang Gong、Colleen Gritzen、Hong Gu、Ehab Hanna、John D. Hood、Steven Hu、Xinshan Kang、Jann Key、Boris Klebansky、Ahmed Kousba、Ge Li、Dan Lohse、Chi Ching Mak、Andrew McPherson、Moorthy S.S. Palanki、Ved P. Pathak、Joel Renick、Feng Shi、Richard Soll、Ute Splittgerber、Silva Stoughton、Suhan Tang、Shiyin Yee、Binqi Zeng、Ningning Zhao、Hong Zhu

  DOI：10.1016/j.bmcl.2006.11.006

  日期：2007.2

  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.