6-chloro-4-(cyclohexylmethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione | 1186395-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶吡嗪类
• 英文名称: 6-chloro-4-(cyclohexylmethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
• CAS: 1186395-70-9
• 化学式: C₁₄H₁₆ClN₃O₂
• 分子量: 293.753
• InChiKey: JXVAHQOSLRLSIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.75
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-chloro-4-(cyclohexylmethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione 、 氨 在 草酰氯 、 N,N-二甲基甲酰胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-amino-6-chloro-4-(cyclohexylmethyl)pyrido[2,3-b]pyrazin-3(4H)-one
  参考文献：
  名称：

  Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors

  摘要：

  A new class of potent and selective PDE5 inhibitors is disclosed. Guided by X-ray crystallographic data, optimization of an HTS lead led to the discovery of a series of 2-aryl, (N8)-alkyl substituted-6-aminosubstituted pyrido[3,2b]pyrazinones which show potent inhibition of the PDE5 enzyme. Synthetic details and some structure-activity relationships are also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.012
• 作为产物：
  描述：

  6-Chloro-N2-(cyclohexylmethyl)pyridine-2,3-diamine 、 草酸 在 盐酸 作用下， 以 水 为溶剂， 反应 16.0h， 生成 6-chloro-4-(cyclohexylmethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
  参考文献：
  名称：

  Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors

  摘要：

  A new class of potent and selective PDE5 inhibitors is disclosed. Guided by X-ray crystallographic data, optimization of an HTS lead led to the discovery of a series of 2-aryl, (N8)-alkyl substituted-6-aminosubstituted pyrido[3,2b]pyrazinones which show potent inhibition of the PDE5 enzyme. Synthetic details and some structure-activity relationships are also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.012