6-chloro-N-(cyclohexylmethyl)-3-nitropyridin-2-amine | 1096295-09-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 6-chloro-N-(cyclohexylmethyl)-3-nitropyridin-2-amine
• CAS: 1096295-09-8
• 化学式: C₁₂H₁₆ClN₃O₂
• mdl: MFCD12068894
• 分子量: 269.731
• InChiKey: REXYOMQTLKYCBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.583
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-chloro-N-(cyclohexylmethyl)-3-nitropyridin-2-amine 在 氢气 作用下， 生成 6-Chloro-N2-(cyclohexylmethyl)pyridine-2,3-diamine
  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：

  2,6-二氯-3-硝基吡啶 、 环己甲胺 在 sodium carbonate 作用下， 以 异丙醇 为溶剂， 生成 6-chloro-N-(cyclohexylmethyl)-3-nitropyridin-2-amine
  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