2-(6-(2-(5-Ethyl-4-methyloxazol-2-yl)ethyl)-4-morpholinopyridin-2-ylamino)acetonitrile | 1186079-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(6-(2-(5-Ethyl-4-methyloxazol-2-yl)ethyl)-4-morpholinopyridin-2-ylamino)acetonitrile
• 英文别名: 2-[[6-[2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)ethyl]-4-morpholin-4-ylpyridin-2-yl]amino]acetonitrile
• CAS: 1186079-99-1
• 化学式: C₁₉H₂₅N₅O₂
• 分子量: 355.44
• InChiKey: UACCRJPDOVASAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成 2-(6-(2-(5-Ethyl-4-methyloxazol-2-yl)ethyl)-4-morpholinopyridin-2-ylamino)acetonitrile
  参考文献：
  名称：

  Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity

  摘要：

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.069