4-(4-(morpholinomethyl)phenyl)naphthalen-1-amine | 945537-27-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(4-(morpholinomethyl)phenyl)naphthalen-1-amine
• CAS: 945537-27-9
• 化学式: C₂₁H₂₂N₂O
• 分子量: 318.418
• InChiKey: MJVJOJVHAMFOMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  38.49
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(4-(morpholinomethyl)phenyl)naphthalen-1-amine 、 苯基(3-(叔-丁基)-1-(P-甲苯基)-1H-吡唑-5-基)氨基甲酯 以 二甲基亚砜 为溶剂， 生成 1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(4-(morpholin-4-yl-methyl)phenyl)naphthalen-1-yl]urea
  参考文献：
  名称：

  New modifications to the area of pyrazole-naphthyl urea based p38 MAP kinase inhibitors that bind to the adenine/ATP site

  摘要：

  Discovery of the pyrazole-naphthyl urea class of p38 MAP kinase inhibitors typified by the clinical candidate BIRB 796 has encouraged further exploration of this particular scaffold. Modification to the part of the inhibitor that occupies the adenine/ ATP binding site has resulted in a new way to obtain potent inhibitors that possess favorable in vitro and in vivo properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.042
• 作为产物：
  描述：

  对溴苯甲醛 在 三丁基氯化锡 、 叔丁基锂 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 生成 4-(4-(morpholinomethyl)phenyl)naphthalen-1-amine
  参考文献：
  名称：

  New modifications to the area of pyrazole-naphthyl urea based p38 MAP kinase inhibitors that bind to the adenine/ATP site

  摘要：

  Discovery of the pyrazole-naphthyl urea class of p38 MAP kinase inhibitors typified by the clinical candidate BIRB 796 has encouraged further exploration of this particular scaffold. Modification to the part of the inhibitor that occupies the adenine/ ATP binding site has resulted in a new way to obtain potent inhibitors that possess favorable in vitro and in vivo properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.042