3-(2-Methyl-benzooxazol-7-yl)-propylamine | 625850-83-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 3-(2-Methyl-benzooxazol-7-yl)-propylamine
• 英文别名: 3-(2-Methyl-1,3-benzoxazol-7-yl)propan-1-amine
• CAS: 625850-83-1
• 化学式: C₁₁H₁₄N₂O
• 分子量: 190.245
• InChiKey: ATUXFOKPXFHFAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  丁酰氯 、 3-(2-Methyl-benzooxazol-7-yl)-propylamine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-[3-(2-methylbenzoxazol-7-yl)propyl]butanamide
  参考文献：
  名称：

  Synthesis and structure–activity relationship of novel benzoxazole derivatives as melatonin receptor agonists

  摘要：

  A series of benzoxazole derivatives was synthesized and evaluated as melatoninergic ligands. The binding affinity of these compounds for human MT1 and MT2 receptors was determined using 2-[I-125]-iodomelatonin as the radioligand. From this series of benzoxazole derivatives, compounds 14 and 17 were identified as melatonin receptor agonists. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.082
• 作为产物：
  描述：

  3-硝基水杨醛 在 palladium on activated charcoal 、 镍 ammonium hydroxide 、 氢气 、 4-甲基苯磺酸吡啶 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 xylene 为溶剂， 生成 3-(2-Methyl-benzooxazol-7-yl)-propylamine
  参考文献：
  名称：

  Synthesis and structure–activity relationship of novel benzoxazole derivatives as melatonin receptor agonists

  摘要：

  A series of benzoxazole derivatives was synthesized and evaluated as melatoninergic ligands. The binding affinity of these compounds for human MT1 and MT2 receptors was determined using 2-[I-125]-iodomelatonin as the radioligand. From this series of benzoxazole derivatives, compounds 14 and 17 were identified as melatonin receptor agonists. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.082

文献信息

• Benzoxazole derivatives as novel melatonergic agents
  申请人：——

  公开号：US20030216456A1

  公开（公告）日：2003-11-20

  Novel benzoxazole derivatives which have a binding affinity for the human melatonin receptor and, therefore, are useful as melatonergic agents.

  这是一种新型苯并噁唑衍生物，具有与人体褪黑素受体结合的亲和力，因此可用作褪黑素类药物。
• US6737431B2
  申请人：——

  公开号：US6737431B2

  公开（公告）日：2004-05-18
• Synthesis and structure–activity relationship of novel benzoxazole derivatives as melatonin receptor agonists
  作者：Li-Qiang Sun、Jie Chen、Marc Bruce、Jeffrey A Deskus、James R Epperson、Katherine Takaki、Graham Johnson、Lawrence Iben、Cathy D Mahle、Elaine Ryan、Cen Xu

  DOI：10.1016/j.bmcl.2004.04.082

  日期：2004.7

  A series of benzoxazole derivatives was synthesized and evaluated as melatoninergic ligands. The binding affinity of these compounds for human MT1 and MT2 receptors was determined using 2-[I-125]-iodomelatonin as the radioligand. From this series of benzoxazole derivatives, compounds 14 and 17 were identified as melatonin receptor agonists. (C) 2004 Elsevier Ltd. All rights reserved.