N-(6-butylpyridin-2-yl)acetamide | 1309921-20-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(6-butylpyridin-2-yl)acetamide
• CAS: 1309921-20-7
• 化学式: C₁₁H₁₆N₂O
• 分子量: 192.261
• InChiKey: NHTWIOJWAYYLSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(6-butylpyridin-2-yl)acetamide 在 盐酸 、 水 作用下， 以95.7%的产率得到6-丁基吡啶-2-胺
  参考文献：
  名称：

  Design and synthesis of substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides as positive allosteric modulators of the metabotropic glutamate receptor subtype 5

  摘要：

  Based on SAR in the alkyne class of mGlu5 receptor negative allosteric modulators and a set of amide-based positive allosteric modulators, optimized substitution of the aryl 'b' ring was used to create substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides. Results from an mGlu5 receptor functional assay, using calcium fluorescence, revealed varying efficacies and potencies that provide evidence that subtle changes in compounds within a close structural class can have marked effects on functional activity including switches in modes of efficacy (i.e., negative to positive allosteric modulation). Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.12.110
• 作为产物：
  描述：

  乙酰胺 、 2-溴-6-丁基吡啶 在 copper(l) iodide 、 trans-1,2-Diaminocyclohexane 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 以47%的产率得到N-(6-butylpyridin-2-yl)acetamide
  参考文献：
  名称：

  Design and synthesis of substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides as positive allosteric modulators of the metabotropic glutamate receptor subtype 5

  摘要：

  Based on SAR in the alkyne class of mGlu5 receptor negative allosteric modulators and a set of amide-based positive allosteric modulators, optimized substitution of the aryl 'b' ring was used to create substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides. Results from an mGlu5 receptor functional assay, using calcium fluorescence, revealed varying efficacies and potencies that provide evidence that subtle changes in compounds within a close structural class can have marked effects on functional activity including switches in modes of efficacy (i.e., negative to positive allosteric modulation). Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.12.110

文献信息

• Design and synthesis of substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides as positive allosteric modulators of the metabotropic glutamate receptor subtype 5
  作者：Mu-Fa Zou、Jianjing Cao、Alice L. Rodriguez、P. Jeffrey Conn、Amy Hauck Newman

  DOI：10.1016/j.bmcl.2010.12.110

  日期：2011.5

  Based on SAR in the alkyne class of mGlu5 receptor negative allosteric modulators and a set of amide-based positive allosteric modulators, optimized substitution of the aryl 'b' ring was used to create substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides. Results from an mGlu5 receptor functional assay, using calcium fluorescence, revealed varying efficacies and potencies that provide evidence that subtle changes in compounds within a close structural class can have marked effects on functional activity including switches in modes of efficacy (i.e., negative to positive allosteric modulation). Published by Elsevier Ltd.