N'4'-methyl-6-phenylpyrimidine-4,5-diamine | 736143-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N'4'-methyl-6-phenylpyrimidine-4,5-diamine
• 英文别名: 4-N-methyl-6-phenylpyrimidine-4,5-diamine
• CAS: 736143-12-7
• 化学式: C₁₁H₁₂N₄
• 分子量: 200.243
• InChiKey: QDSMVWAGVGLDGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  原甲酸三乙酯 、 N'4'-methyl-6-phenylpyrimidine-4,5-diamine 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以48%的产率得到9-methyl-6-phenyl-9H-purine
  参考文献：
  名称：

  Synthesis and Biological Testing of Purine Derivatives as Potential ATP-Competitive Kinase Inhibitors

  摘要：

  On the basis of ATP adenine, a series of adenine and purine derivatives was prepared and tested for their ability to inhibit a spectrum of disease-related kinases. There has been scant research investigating the potential of cosubstrate derived kinase inhibitors for other kinases than CDKs. Our inhibitor design combined the purine system from the original cosubstrate ATP and phenyl moieties in order to explore possible interactions with the different regions of the ATP binding site in several disease-related protein kinases. There have been a number of hits for the assayed substances, which led us to conclude that the spectrum of compounds may prove to be a valuable tool kit for the evaluation of bonding and selectivity patterns for a wide variety of kinases.

  DOI：

  10.1021/jm0408767
• 作为产物：
  描述：

  methyl(5-nitro-6-phenylpyrimidin-4-yl)amine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、400.0 kPa 条件下， 反应 0.5h， 以92%的产率得到N'4'-methyl-6-phenylpyrimidine-4,5-diamine
  参考文献：
  名称：

  Synthesis and Biological Testing of Purine Derivatives as Potential ATP-Competitive Kinase Inhibitors

  摘要：

  On the basis of ATP adenine, a series of adenine and purine derivatives was prepared and tested for their ability to inhibit a spectrum of disease-related kinases. There has been scant research investigating the potential of cosubstrate derived kinase inhibitors for other kinases than CDKs. Our inhibitor design combined the purine system from the original cosubstrate ATP and phenyl moieties in order to explore possible interactions with the different regions of the ATP binding site in several disease-related protein kinases. There have been a number of hits for the assayed substances, which led us to conclude that the spectrum of compounds may prove to be a valuable tool kit for the evaluation of bonding and selectivity patterns for a wide variety of kinases.

  DOI：

  10.1021/jm0408767

文献信息

• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：GRIFFIOEN Gerard

  公开号：US20090054410A1

  公开（公告）日：2009-02-26

  This invention provides specifically substituted 1,2,4-thiadiazole derivatives for use in the treatment of an α-synucleopathy such as Parkinson's disease, diffuse Lewy body disease, traumatic brain injury, amyotrophic lateral sclerosis, Niemann-Pick disease, Hallervorden-Spatz syndrome, Down syndrome, neuroaxonal dystrophy, multiple system atrophy and Alzheimer's disease. This invention also provides various methods for producing such substituted 1,2,4-thiadiazole derivatives.
• US8541406B2
  申请人：——

  公开号：US8541406B2

  公开（公告）日：2013-09-24
• Synthesis and Biological Testing of Purine Derivatives as Potential ATP-Competitive Kinase Inhibitors
  作者：Stefan A. Laufer、David M. Domeyer、Thomas R. F. Scior、Wolfgang Albrecht、Dominik R. J. Hauser

  DOI：10.1021/jm0408767

  日期：2005.2.1

  On the basis of ATP adenine, a series of adenine and purine derivatives was prepared and tested for their ability to inhibit a spectrum of disease-related kinases. There has been scant research investigating the potential of cosubstrate derived kinase inhibitors for other kinases than CDKs. Our inhibitor design combined the purine system from the original cosubstrate ATP and phenyl moieties in order to explore possible interactions with the different regions of the ATP binding site in several disease-related protein kinases. There have been a number of hits for the assayed substances, which led us to conclude that the spectrum of compounds may prove to be a valuable tool kit for the evaluation of bonding and selectivity patterns for a wide variety of kinases.