(6-氯嘧啶-4-基)-(4-甲氧基苄基)-胺 | 512803-44-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (6-氯嘧啶-4-基)-(4-甲氧基苄基)-胺
• 英文名称: 6-chloro-N-(4-methoxybenzyl)pyrimidin-4-amine
• 英文别名: N-(4-methoxybenzyl)-6-chloropyrimidin-4-amine；6-chloro-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
• CAS: 512803-44-0
• 化学式: C₁₂H₁₂ClN₃O
• mdl: MFCD09756974
• 分子量: 249.7
• InChiKey: UNVMZDRVUWRHDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (6-氯嘧啶-4-基)-(4-甲氧基苄基)-胺 、 2-(三丁基锡烷基)呋喃 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以81%的产率得到6-(2-furyl)-N-(4-methoxybenzyl)pyrimidine-4-amine
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of 5-formylaminopyrimidines; analogs of antibacterial purines

  摘要：

  Pyrimidine analogs of antimycobacterial purines have been synthesized and their biological activities evaluated. Several 5-formamidopyrimidines exhibited profound activity against Mycobacterium tuberculosis in vitro (IC90 <= 1.5 mu g/mL), and they were essentially inactive against other bacteria. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.082
• 作为产物：
  描述：

  4,6-二氯嘧啶 、 4-甲氧基苄胺 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 反应 3.0h， 生成 (6-氯嘧啶-4-基)-(4-甲氧基苄基)-胺
  参考文献：
  名称：

  Monocyclic heterocycles as kinase inhibitors

  摘要：

  本发明涉及具有以下公式化合物的用途以及使用它们治疗癌症的方法。

  公开号：

  US20050245530A1

文献信息

• KINASE INHIBITORS AND USES THEREOF
  申请人：Raeppel Stephane

  公开号：US20080255155A1

  公开（公告）日：2008-10-16

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds, compositions and methods for the inhibition of kinase activity. The invention also provides compounds, compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，本发明涉及抑制激酶活性的化合物、组合物和方法。本发明还提供用于治疗细胞增殖性疾病和病症的化合物、组合物和方法。
• MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS
  申请人：Borzilleri Robert M.

  公开号：US20090054436A1

  公开（公告）日：2009-02-26

  The present invention is directed to compounds having the formula and methods for using them for the treatment of cancer.

  本发明涉及具有以下结构式的化合物及其用于癌症治疗的方法。
• WO2008/46216
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and biological evaluation of pyrimidine analogs of antimycobacterial purines
  作者：Matthew L. Read、Morten Brændvang、Pedro O. Miranda、Lise-Lotte Gundersen

  DOI：10.1016/j.bmc.2010.04.035

  日期：2010.6.1

  Pyrimidine analogs of antimycobacterial 6-aryl-9-benzylpurines have been synthesized and screened for antibacterial activity against Mycobacterium tuberculosis H(37)Rv in vitro. Several active compounds were identified and the best results were observed for 5-formamidopyrimidines. These compounds generally displayed IC(90) values <= 1 mu g/mL, and they exhibited low toxicity towards mammalian cells. Imidazolylpyrimidines, which may be regarded as fleximer analogs of the parent purines, were also synthesized and one of them was found to be quite a potent inhibitor of M. tuberculosis (IC(90) 14 mu g/mL). (C) 2010 Elsevier Ltd. All rights reserved.
• US7459562B2
  申请人：——

  公开号：US7459562B2

  公开（公告）日：2008-12-02