2-(Diethoxymethyl)-3-methylimidazo[4,5-c]pyridine | 1092075-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 2-(Diethoxymethyl)-3-methylimidazo[4,5-c]pyridine
• 英文别名: 2-(diethoxymethyl)-3-methylimidazo[4,5-c]pyridine
• CAS: 1092075-81-4
• 化学式: C₁₂H₁₇N₃O₂
• 分子量: 235.286
• InChiKey: GWEROEVKBSABEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Diethoxymethyl)-3-methylimidazo[4,5-c]pyridine 在 盐酸 、 水 作用下， 生成 3-methyl-3H-imidazo[4,5-c]pyridine-2-carbaldehyde
  参考文献：
  名称：

  3-(Imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers: A novel series of mGluR2 positive allosteric modulators

  摘要：

  The synthesis and structure-activity relationship (SAR) of a novel series of 3-(imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers, derived from a high throughput screening (HTS), are described. Subsequent optimization led to identification of potent, metabolically stable and orally available mGluR2 positive allosteric modulators (PAMs). (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.026
• 作为产物：
  描述：

  甲基2,2-二乙氧基乙亚氨酸酯 、 N3-甲基-3,4-吡啶二胺 在 溶剂黄146 、 对甲苯磺酸 作用下， 以 乙二醇二甲醚 为溶剂， 生成 2-(Diethoxymethyl)-3-methylimidazo[4,5-c]pyridine
  参考文献：
  名称：

  3-(Imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers: A novel series of mGluR2 positive allosteric modulators

  摘要：

  The synthesis and structure-activity relationship (SAR) of a novel series of 3-(imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers, derived from a high throughput screening (HTS), are described. Subsequent optimization led to identification of potent, metabolically stable and orally available mGluR2 positive allosteric modulators (PAMs). (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.026

文献信息

• 3-(Imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers: A novel series of mGluR2 positive allosteric modulators
  作者：Lei Zhang、Bruce N. Rogers、Allen J. Duplantier、Stanley F. McHardy、Ivan Efremov、Helen Berke、Weimin Qian、Andy Q. Zhang、Noha Maklad、John Candler、Angela C. Doran、John T. Lazzaro、Alan H. Ganong

  DOI：10.1016/j.bmcl.2008.09.026

  日期：2008.10

  The synthesis and structure-activity relationship (SAR) of a novel series of 3-(imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers, derived from a high throughput screening (HTS), are described. Subsequent optimization led to identification of potent, metabolically stable and orally available mGluR2 positive allosteric modulators (PAMs). (c) 2008 Elsevier Ltd. All rights reserved.