4-[Benzyl(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile | 1031213-84-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[Benzyl(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile
• CAS: 1031213-84-9
• 化学式: C₁₇H₂₀N₄
• 分子量: 280.373
• InChiKey: OBQRXUXIAHCBPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-benzyl-2-chloro-N-neopentylpyrimidin-4-amine 、 氰化钠 在 三乙烯二胺 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 24.0h， 以75%的产率得到4-[Benzyl(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile
  参考文献：
  名称：

  New chemotypes for cathepsin K inhibitors

  摘要：

  Cyano pyrimidine acetylene and cyano pyrimidine t-amine, which belong to a new chemical class, were prepared and tested for inhibitory activities against cathepsin K and the highly homologous cathepsins L and S. The use of novel chemotypes in the development of cathepsin K inhibitors has been demonstrated by derivatives of compounds 1 and 8. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.036

文献信息

• New chemotypes for cathepsin K inhibitors
  作者：Naoki Teno、Osamu Irie、Takahiro Miyake、Keigo Gohda、Miyuki Horiuchi、Sachiyo Tada、Kazuhiko Nonomura、Motohiko Kometani、Genji Iwasaki、Claudia Betschart

  DOI：10.1016/j.bmcl.2008.03.036

  日期：2008.4

  Cyano pyrimidine acetylene and cyano pyrimidine t-amine, which belong to a new chemical class, were prepared and tested for inhibitory activities against cathepsin K and the highly homologous cathepsins L and S. The use of novel chemotypes in the development of cathepsin K inhibitors has been demonstrated by derivatives of compounds 1 and 8. (c) 2008 Elsevier Ltd. All rights reserved.