6-[Butyl(methyl)amino]-N-cycloheptylpyrazine-2-carboxamide | 923600-09-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-[Butyl(methyl)amino]-N-cycloheptylpyrazine-2-carboxamide
• CAS: 923600-09-3
• 化学式: C₁₇H₂₈N₄O
• 分子量: 304.436
• InChiKey: FLHIUKOOQVYSDM-UHFFFAOYSA-N

物化性质

• 沸点：
  478.5±45.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  58.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-氯吡嗪-2-羧酸 在 N,N-二异丙基乙胺 、 N,N'-羰基二咪唑 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 68.0h， 生成 6-[Butyl(methyl)amino]-N-cycloheptylpyrazine-2-carboxamide
  参考文献：
  名称：

  Structure–activity relationships of novel non-competitive mGluR1 antagonists: A potential treatment for chronic pain

  摘要：

  A series of novel mGluR1 antagonists have been prepared. Incorporation of fragments derived from weak lead matter into a library led to enhanced potency in a new chemical series. A chemistry driven second library iteration, covering a greatly enhanced area of chemical space, maintained good potency and introduced metabolic stability. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.015

文献信息

• Structure–activity relationships of novel non-competitive mGluR1 antagonists: A potential treatment for chronic pain
  作者：Dafydd R. Owen、Peter G. Dodd、Simon Gayton、Ben S. Greener、Gareth W. Harbottle、Simon J. Mantell、Graham N. Maw、Simon A. Osborne、Huw Rees、Tracy J. Ringer、Margarita Rodriguez-Lens、Graham F. Smith

  DOI：10.1016/j.bmcl.2006.10.015

  日期：2007.1

  A series of novel mGluR1 antagonists have been prepared. Incorporation of fragments derived from weak lead matter into a library led to enhanced potency in a new chemical series. A chemistry driven second library iteration, covering a greatly enhanced area of chemical space, maintained good potency and introduced metabolic stability. (c) 2006 Elsevier Ltd. All rights reserved.