N-(5-Chloro-2-methyl-phenyl)-guanidine | 41213-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(5-Chloro-2-methyl-phenyl)-guanidine
• 英文别名: 1-(5-Chloro-2-methylphenyl)guanidine；2-(5-chloro-2-methylphenyl)guanidine
• CAS: 41213-72-3
• 化学式: C₈H₁₀ClN₃
• 分子量: 183.64
• InChiKey: RCVCEAWHDUGLQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-3-(dimethylamino)-1-(pyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one 、 N-(5-Chloro-2-methyl-phenyl)-guanidine 在 potassium carbonate 作用下， 以 乙二醇甲醚 为溶剂， 生成
  参考文献：
  名称：

  Novel heterocycle-substituted pyrimidines as inhibitors of NF-κB transcription regulation related to TNF-α cytokine release

  摘要：

  Novel heterocyclic ring-substituted pyrimidines have been designed as inhibitors of glycogen synthase kinase-3 beta (GSK-3P) from the modification of known inhibitors. Several potent inhibitors exhibiting nanomolar activities were discovered against GSK-3 beta kinase as well as in an NF-kappa B reporter gene assay. Based on the results from in vitro TNF-alpha release inhibition and in vivo endotoxima, these inhibitors are expected to be useful candidates for treatment of inflammation-related diseases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.064
• 作为产物：
  描述：

  氰胺 、 5-氯邻甲苯胺 在 硝酸 作用下， 以 乙醇 为溶剂， 以82%的产率得到N-(5-Chloro-2-methyl-phenyl)-guanidine
  参考文献：
  名称：

  Novel heterocycle-substituted pyrimidines as inhibitors of NF-κB transcription regulation related to TNF-α cytokine release

  摘要：

  Novel heterocyclic ring-substituted pyrimidines have been designed as inhibitors of glycogen synthase kinase-3 beta (GSK-3P) from the modification of known inhibitors. Several potent inhibitors exhibiting nanomolar activities were discovered against GSK-3 beta kinase as well as in an NF-kappa B reporter gene assay. Based on the results from in vitro TNF-alpha release inhibition and in vivo endotoxima, these inhibitors are expected to be useful candidates for treatment of inflammation-related diseases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.064

文献信息

• US7186737B2
  申请人：——

  公开号：US7186737B2

  公开（公告）日：2007-03-06
• US7205305B2
  申请人：——

  公开号：US7205305B2

  公开（公告）日：2007-04-17
• Novel heterocycle-substituted pyrimidines as inhibitors of NF-κB transcription regulation related to TNF-α cytokine release
  作者：Hyung-Ho Ha、Jee Seon Kim、B. Moon Kim

  DOI：10.1016/j.bmcl.2007.11.064

  日期：2008.1

  Novel heterocyclic ring-substituted pyrimidines have been designed as inhibitors of glycogen synthase kinase-3 beta (GSK-3P) from the modification of known inhibitors. Several potent inhibitors exhibiting nanomolar activities were discovered against GSK-3 beta kinase as well as in an NF-kappa B reporter gene assay. Based on the results from in vitro TNF-alpha release inhibition and in vivo endotoxima, these inhibitors are expected to be useful candidates for treatment of inflammation-related diseases. (c) 2007 Elsevier Ltd. All rights reserved.