2,6-Dimethyl-4-piperidin-4-ylbenzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2,6-Dimethyl-4-piperidin-4-ylbenzonitrile
• 英文别名: 2,6-dimethyl-4-piperidin-4-ylbenzonitrile
• 化学式: C₁₄H₁₈N₂
• 分子量: 214.31
• InChiKey: WSAGJVCFQDBZKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dimethyl 4-[(chlorosulfonyl)methyl]piperidine-1,4-dicarboxylate 、 2,6-Dimethyl-4-piperidin-4-ylbenzonitrile 在 N,N-二异丙基乙胺 作用下， 生成
  参考文献：
  名称：

  Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle permutations

  摘要：

  A series of beta-sulfonamide piperidine hydroxamates were prepared and shown to be potent inhibitors of the human epidermal growth factor receptor-2 (HER-2) sheddase with excellent selectivity against MMP-1, -2, -3, and -9. This was achieved by exploiting subtle differences within the otherwise highly conserved S-1' binding pocket of the active sites within the metalloprotease family. In addition, it was discovered that the introduction of polarity to the P-1 and P-1' groups reduced the projected human clearance. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.086