N-(6-aminohexyl)-4-[[4-(2-phenyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(6-aminohexyl)-4-[[4-(2-phenyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
• 化学式: C₁₃₅H₁₃₄N₅O₂₃Pol
• 分子量: 533.7
• InChiKey: ZHCKGKJFOSRHAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(6-aminohexyl)-4-[[4-(2-phenyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide 、 5’-(4,4’-二甲氧基三苯基)-3’-脱氧胸苷 2’-(2-氰乙基-N,N-二异丙基)亚磷酰胺 在 吡啶 、 氨 作用下， 反应 4.0h， 以63%的产率得到[2-[[25-(2-hydroxyethoxy)-11,17,23-tris[[2-[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyacetyl]amino]-26,27,28-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-2-oxoethyl] [(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  参考文献：
  名称：

  Polymer supported calixarene derivative useful for solid-phase synthesis application

  摘要：

  A calix[4]arene derivative has been anchored to carboxyl CPG and TentaGel supports by an easily cleavable ester bond and DMT groups allow a simple loading evaluation via UV-vis spectroscopy. The loading of the calixarene on TentaGel resin has also been estimated by HR-MAS NMR experiments. The potential of the polymer supported calixarenes (9 and 10) in solid phase synthesis has been tested by condensation of four thymine nucleotide units onto the upper rim of the calix[4]arene skeleton. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.082
• 作为产物：
  描述：

  N-(6-tert-butyloxycarbonyl aminohexyl)-4-[4-(1-isopropyl-2-phenyl imidazol-4-yl)-2-pyrimidinylamino] benzenesulfonamide 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以92%的产率得到N-(6-aminohexyl)-4-[[4-(2-phenyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
  参考文献：
  名称：

  Concise, flexible syntheses of 4-(4-imidazolyl)pyrimidine cyclin-dependent kinase 2 (CDK2) inhibitors

  摘要：

  A flexible six-step synthesis of potential cyclin-dependent kinase 2 (CDK2) inhibitors is reported. The synthesis involves the condensation between 3-chloro-4,4-dimethoxy-2-butanone and amidines, which provides acetyl-imidazoles and late stage palladium-catalyzed N-arylation to give the target pyrimidine derivatives. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.074