5-methyl-N-(pyridin-2-ylmethylene)pyridin-2-ylamine | 21756-26-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-methyl-N-(pyridin-2-ylmethylene)pyridin-2-ylamine
• CAS: 21756-26-3
• 化学式: C₁₂H₁₁N₃
• 分子量: 197.239
• InChiKey: ZLWWMGOEUCPTHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  38.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  苄异腈 、 5-methyl-N-(pyridin-2-ylmethylene)pyridin-2-ylamine 以 甲醇 为溶剂， 以176 mg的产率得到N-benzyl-6-methyl-2-(pyridine-2-yl)imidazo[1,2-a]pyridine-3-amine
  参考文献：
  名称：

  Nonacidic Farnesoid X Receptor Modulators

  摘要：

  As a cellular bile acid sensor, farnesoid X receptor (FXR) participates in regulation of bile acid, lipid and glucose homeostasis, and liver protection. Clinical results have validated FXR as therapeutic target in hepatic and metabolic diseases. To date, potent FXR agonists share a negatively ionizable function that might compromise their pharmacokinetic distribution and behavior. Here we report the development and characterization of a high-affinity FXR modulator not comprising an acidic residue.

  DOI：

  10.1021/acs.jmedchem.7b00903
• 作为产物：
  描述：

  吡啶-2-甲醛 、 2-氨基-5-甲基吡啶 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 0.25h， 生成 5-methyl-N-(pyridin-2-ylmethylene)pyridin-2-ylamine
  参考文献：
  名称：

  Nonacidic Farnesoid X Receptor Modulators

  摘要：

  As a cellular bile acid sensor, farnesoid X receptor (FXR) participates in regulation of bile acid, lipid and glucose homeostasis, and liver protection. Clinical results have validated FXR as therapeutic target in hepatic and metabolic diseases. To date, potent FXR agonists share a negatively ionizable function that might compromise their pharmacokinetic distribution and behavior. Here we report the development and characterization of a high-affinity FXR modulator not comprising an acidic residue.

  DOI：

  10.1021/acs.jmedchem.7b00903

文献信息

• In situ synthesis of manganese(III) complexes under control: Crystal structure and magnetic properties
  作者：Shuai Ding、Yu-Fei Ji、Min-Yan Kang、Chun-Fang Du、Zhi-Liang Liu、Cai-Ming Liu

  DOI：10.1016/j.inoche.2012.04.022

  日期：2012.7

  Abstract Three new manganese(III) compounds have been synthesized via in situ ligand transformation and oxidation of Mn(II) ions. In the presence/absence of N3− anion in the reaction solutions, the dinuclear/mononuclear Mn(III) coordination compounds were formed, respectively. A structural analysis of the dinuclear compounds (1, 2) shows that the six coordination Mn(III) atoms are linked by two methanolato

  摘要 通过原位配位体转化和Mn(II)离子氧化合成了三种新的锰(III)化合物。在反应溶液中存在/不存在 N3- 阴离子时，分别形成双核/单核 Mn(III) 配位化合物。双核化合物 (1, 2) 的结构分析表明，六个配位 Mn(III) 原子通过来自两个配体的两个甲醇氧原子连接，形成金属离子和氧原子的矩形排列。在复合物 3 中，两个面配位的三齿配体与 Mn(III) 离子结合，产生具有轴向压缩八面体几何形状的 MnN4O2 发色团。此外，