6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-fluoropyridin-3-yl)methyl)-4-morpholinopyridin-2-amine | 1187348-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-fluoropyridin-3-yl)methyl)-4-morpholinopyridin-2-amine
• 英文别名: 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-[(6-fluoropyridin-3-yl)methyl]-4-morpholin-4-ylpyridin-2-amine
• CAS: 1187348-53-3
• 化学式: C₂₁H₂₄FN₅O₂S
• 分子量: 429.518
• InChiKey: JXDOUBAASAWDFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  9

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 6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-fluoropyridin-3-yl)methyl)-4-morpholinopyridin-2-amine
  参考文献：
  名称：

  Synthesis and evaluation of a series of 2,4-diaminopyridine derivatives as potential positron emission tomography tracers for neuropeptide Y Y1 receptors

  摘要：

  A series of 2,4-diaminopyridine derivatives was synthesized and evaluated as potential candidates for neuropeptide Y (NPY) Y1 receptor positron emission tomography (PET) tracers. Derivatives bearing substitutions allowing reliable access to radiolabeling were designed, focusing on Y1 binding affinity and lipophilicity. The advanced derivatives 2n and 2o were identified as promising PET tracer candidates. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.030