N-(4-(2-chlorobenzamido)-3-methoxyphenyl)pyrazine-2-carboxamide | 1266338-04-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-(2-chlorobenzamido)-3-methoxyphenyl)pyrazine-2-carboxamide
• 英文别名: N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrazine-2-carboxamide
• CAS: 1266338-04-8
• 化学式: C₁₉H₁₅ClN₄O₃
• 分子量: 382.806
• InChiKey: BGCVQXIDOHQTKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  93.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲氧基-4-硝基苯胺 在 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 1,1-二氯乙烷 、 乙醇 、 乙酸乙酯 为溶剂， 20.0~100.0 ℃ 、101.33 kPa 条件下， 反应 28.75h， 生成 N-(4-(2-chlorobenzamido)-3-methoxyphenyl)pyrazine-2-carboxamide
  参考文献：
  名称：

  Discovery, Synthesis, and Structure−Activity Relationship Development of a Series of N-(4-Acetamido)phenylpicolinamides as Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4 (mGlu₄) with CNS Exposure in Rats

  摘要：

  Herein we report the discovery, synthesis, and evaluation of a series of N-(4-acetamido)-phenylpico-linamides as positive allosteric modulators of mGlu(4). Compounds from the series show submicromolar potency at both human and rat mGlu(4). In addition, pharmacokinetic studies utilizing subcutaneous dosing demonstrated good brain exposure in rats.

  DOI：

  10.1021/jm101271s

文献信息

• Discovery, Synthesis, and Structure−Activity Relationship Development of a Series of <i>N</i>-(4-Acetamido)phenylpicolinamides as Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4 (mGlu₄) with CNS Exposure in Rats
  作者：Darren W. Engers、Julie R. Field、Uyen Le、Ya Zhou、Julie D. Bolinger、Rocio Zamorano、Anna L. Blobaum、Carrie K. Jones、Satyawan Jadhav、C. David Weaver、P. Jeffrey Conn、Craig W. Lindsley、Colleen M. Niswender、Corey R. Hopkins

  DOI：10.1021/jm101271s

  日期：2011.2.24

  Herein we report the discovery, synthesis, and evaluation of a series of N-(4-acetamido)-phenylpico-linamides as positive allosteric modulators of mGlu(4). Compounds from the series show submicromolar potency at both human and rat mGlu(4). In addition, pharmacokinetic studies utilizing subcutaneous dosing demonstrated good brain exposure in rats.