4-benzyl-N'-hydroxy-4'-isobutyl-2'-phenyl-[2,5'-bipyrimidine]-5-carboximidamide | 1235478-08-6

• 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: 4-benzyl-N'-hydroxy-4'-isobutyl-2'-phenyl-[2,5'-bipyrimidine]-5-carboximidamide
• CAS: 1235478-08-6
• 化学式: C₂₆H₂₆N₆O
• 分子量: 438.532
• InChiKey: LLMGIWZJSPFMFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.48
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  110.17
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-benzyl-N'-hydroxy-4'-isobutyl-2'-phenyl-[2,5'-bipyrimidine]-5-carboximidamide 在 palladium 10% on activated carbon 、 potassium formate 、 乙酸酐 、 溶剂黄146 作用下， 生成
  参考文献：
  名称：

  Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics

  摘要：

  A facile iterative synthesis of 2,5-terpyrimidinylenes that are structurally analogous to alpha-helix mimics is presented. Condensation of amidines with readily prepared alpha,beta-unsaturated alpha-cyanoketones gives 5-cyano-substituted pyrimidines. Iterative transformation of the 5-cyano group into an amidine allows synthesis of 2,5-terpyrimidinylenes with variable groups at the 4-, 4'-, and 4 ''-positions. These compounds are designed to mimic the i, i + 4, and i + 7 sites of an alpha-helix.

  DOI：

  10.1021/jo100272d
• 作为产物：
  描述：

  4-benzyl-4'-isobutyl-2'-phenyl-2,5'-bipyrimidine-5-carbonitrile 在 盐酸羟胺 、 三乙胺 作用下， 以 甲醇 为溶剂， 生成 4-benzyl-N'-hydroxy-4'-isobutyl-2'-phenyl-[2,5'-bipyrimidine]-5-carboximidamide
  参考文献：
  名称：

  Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics

  摘要：

  A facile iterative synthesis of 2,5-terpyrimidinylenes that are structurally analogous to alpha-helix mimics is presented. Condensation of amidines with readily prepared alpha,beta-unsaturated alpha-cyanoketones gives 5-cyano-substituted pyrimidines. Iterative transformation of the 5-cyano group into an amidine allows synthesis of 2,5-terpyrimidinylenes with variable groups at the 4-, 4'-, and 4 ''-positions. These compounds are designed to mimic the i, i + 4, and i + 7 sites of an alpha-helix.

  DOI：

  10.1021/jo100272d

文献信息

• [EN] ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD<br/>[FR] STRUCTURE MIMÉTIQUE D'HÉLICE ALPHA UTILISANT UN SQUELETTE 2,5-OLIGOPYRIMIDINE
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2010083501A3

  公开（公告）日：2011-03-31