1-甲基-3-(苯甲氧基)-4(1H)-吡啶酮 | 1064077-34-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-甲基-3-(苯甲氧基)-4(1H)-吡啶酮
• 中文别名: 1-甲基-3-苄氧基-4(1H)-吡啶酮
• 英文名称: 3-benzyloxy-1-methyl-1H-pyridin-4-one
• 英文别名: 3-benzyloxy-1-methyl-1H-pyridin-4-one；3-Benzyloxy-1-methylpyridin-4(1H)-on；3-(benzyloxy)-1-methylpyridin-4(1H)-one；1-methyl-3-phenylmethoxypyridin-4-one
• CAS: 1064077-34-4
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: GHKFQHNOAJTZCF-UHFFFAOYSA-N

物化性质

• 密度：
  1.17

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-甲基-3-(苯甲氧基)-4(1H)-吡啶酮 在 5percent Pd/C 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以1.16 g的产率得到1-methyl-3-hydroxypyridin-4(1H)-one hydrochloride
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Novel 2-Substituted 3-Hydroxypyridin-4-ones:  Structure−Activity Investigation of Metalloenzyme Inhibition by Iron Chelators

  摘要：

  A range of novel 3-hydroxypyridin-4-ones with different R(2) substitutents has been synthesized for the investigation of the structure-activity relationship between the chemical nature of the ligand and the inhibitory activity of the iron-containing metalloenzyme 5-lipoxygenase. Results indicate that the molecular dimensions, together with the lipophilicity, have a critical impact on the ability of this class of chelator to inhibit 5-lipoxygenase. Hydrophilic ligands with a bulky R(2) substitutent tend to be weak inhibitors; thus 1,6-dimethyl-2-(4'-N-n-propylsuccinamido)methyl-3-hydroxypyridin-4(1H)-one (22b) which has the largest R(2) substitutent only caused 2% inhibition of the enzyme activity after 30 min incubation at 110 muM IBE (iron-binding equivalents), as compared with deferiprone which caused 40% inhibition of the enzyme activity, under the same conditions.

  DOI：

  10.1021/jm010817i
• 作为产物：
  描述：

  3-羟基-4H-吡喃-4-酮 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 18.0h， 生成 1-甲基-3-(苯甲氧基)-4(1H)-吡啶酮
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Novel 2-Substituted 3-Hydroxypyridin-4-ones:  Structure−Activity Investigation of Metalloenzyme Inhibition by Iron Chelators

  摘要：

  A range of novel 3-hydroxypyridin-4-ones with different R(2) substitutents has been synthesized for the investigation of the structure-activity relationship between the chemical nature of the ligand and the inhibitory activity of the iron-containing metalloenzyme 5-lipoxygenase. Results indicate that the molecular dimensions, together with the lipophilicity, have a critical impact on the ability of this class of chelator to inhibit 5-lipoxygenase. Hydrophilic ligands with a bulky R(2) substitutent tend to be weak inhibitors; thus 1,6-dimethyl-2-(4'-N-n-propylsuccinamido)methyl-3-hydroxypyridin-4(1H)-one (22b) which has the largest R(2) substitutent only caused 2% inhibition of the enzyme activity after 30 min incubation at 110 muM IBE (iron-binding equivalents), as compared with deferiprone which caused 40% inhibition of the enzyme activity, under the same conditions.

  DOI：

  10.1021/jm010817i

文献信息

• Fluorinated derivatives of deferiprone
  申请人：Tam Tim Fat

  公开号：US20080242706A1

  公开（公告）日：2008-10-02

  The present invention relates to novel derivatives of deferiprone. In particular, the present invention relates to fluorinated derivatives of deferiprone or pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising same, processes for the manufacture thereof and their use in the treatment of neurodegenerative diseases caused by the presence of free iron or iron accumulation in neural tissues and in diseases wherein excess iron must be removed or redistributed.

  本发明涉及延胜肽的新颖衍生物。具体地，本发明涉及延胜肽的氟化衍生物或其药用盐，包括相同的药物组成部分，制造这些药物组成部分的方法以及它们在治疗由游离铁或神经组织中铁积累引起的神经退行性疾病以及需要去除或重新分配过量铁的疾病中的用途。
• Fluorinated Derivatives of Deferiprone
  申请人：Tam Tim Fat

  公开号：US20120095061A1

  公开（公告）日：2012-04-19

  The present invention relates to novel derivatives of deferiprone. In particular, the present invention relates to fluorinated derivatives of deferiprone or pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising same, processes for the manufacture thereof and their use in the treatment of neurodegenerative diseases caused by the presence of free iron or iron accumulation in neural tissues and in diseases wherein excess iron must be removed or redistributed.

  本发明涉及新型去铁酮衍生物。特别地，本发明涉及氟化去铁酮衍生物或其药学上可接受的盐、包含其的制药组合物、其制造过程以及在治疗由自由铁或神经组织中铁积累引起的神经退行性疾病和需要去除或重新分配过量铁的疾病中的应用。
• FLUORINATED DERIVATIVES OF DEFERIPRONE
  申请人：Apotex Technologies Inc.

  公开号：EP2134688B1

  公开（公告）日：2016-10-05
• MONOBACTAMS
  申请人：Brown Matthew F.

  公开号：US20120302542A1

  公开（公告）日：2012-11-29

  The present invention is directed to a new class of monobactam derivatives and their use for treating bacterial infections.
• Monobactams
  申请人：PFIZER INC.

  公开号：US20130252935A1

  公开（公告）日：2013-09-26

  The present invention is directed to a new class of monobactam derivatives and their use for treating bacterial infections.