(S)-2-(hydroxymethyl)-N-(pyridin-4-yl)pyrrolidine-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-2-(hydroxymethyl)-N-(pyridin-4-yl)pyrrolidine-1-carboxamide
• 英文别名: (2S)-2-(hydroxymethyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: YKPMXXYAPSXHOM-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  65.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氨基吡啶 在 1-甲基吡咯烷 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 (S)-2-(hydroxymethyl)-N-(pyridin-4-yl)pyrrolidine-1-carboxamide
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluations of Several Y-26732 Analogues

  摘要：

  A series of pyridine Rho kinase inhibitors were designed and synthesized utilizing the ligand‐binding pocket model with Y‐26732 as the lead compound. These compounds were evaluated on cell lines for their biological activities.

  DOI：

  10.1002/jhet.2238

文献信息

• Design, Synthesis, and Biological Evaluations of Several Y-26732 Analogues
  作者：Xinran Wang、Ligong Chen、Hang Li、Changhai Sun、Haofei Qi、Donghua Wang

  DOI：10.1002/jhet.2238

  日期：2015.7

  A series of pyridine Rho kinase inhibitors were designed and synthesized utilizing the ligand‐binding pocket model with Y‐26732 as the lead compound. These compounds were evaluated on cell lines for their biological activities.