6-(2-甲基-4-氧代-3-苯基甲氧基吡啶-1-基)己酸 | 99110-60-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6-(2-甲基-4-氧代-3-苯基甲氧基吡啶-1-基)己酸
• 英文名称: 3-benzyloxy-1-carboxypentyl-2-methyl-4(1H)-pyridinone
• 英文别名: 3-benzyloxy-1-(5'-carboxypentyl)-2-methylpyrid-4-one；6-[3-(Benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl]hexanoic acid；6-(2-methyl-4-oxo-3-phenylmethoxypyridin-1-yl)hexanoic acid
• CAS: 99110-60-8
• 化学式: C₁₉H₂₃NO₄
• 分子量: 329.396
• InChiKey: PNKRCBZCUWEUCW-UHFFFAOYSA-N

物化性质

• 熔点：
  106-109 °C
• 沸点：
  537.7±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(2-甲基-4-氧代-3-苯基甲氧基吡啶-1-基)己酸 在 palladium on activated charcoal 氢气 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 122.0h， 生成 N,N'-[bis(3-hydroxy-1,4-dihydro-2-methyl-4-oxo-1-pyridyl)hexanoyl]-1,5-diamino-3-oxapentane
  参考文献：
  名称：

  Oxovanadium Complexes of N-Substituted 3-Hydroxy-2-methyl-4(1H)-pyridinones: Synthesis, Spectroscopic Characterization, and the Insulin-mimetic Activity

  摘要：

  Five kinds of N-substituted 3-hydroxy-2-methyl-4(1H)-pyridinones, and two kinds of tetradentate ligands, N,N'-[bis(3-hydroxy-1,4-dihydro-2-methyl-4-oxo-1-pyridyl)hexanoyl- and -octanoyl]-1,5-diamino-3-oxapentanes, were synthesized. Treatment of these ligands with VO(acac)(2) in CH3OH exclusively gave CH3O-coordinated oxovanadium(V) complexes. On the other hand, treatment with VOSO4 in H2O at around pH 10 afforded oxovanadium(IV) complexes. On the basis of the inhibitory effect of oxovanadium(IV) complexes on free fatty acid (FFA) release from rat adipocytes treated with epinephrine in the presence of 0.1% glucose in vitro, it was revealed that some of oxovanadium(IV) complexes show the insulin-mimetic activity.

  DOI：

  10.3987/com-03-9719
• 作为产物：
  描述：

  3-(苄氧基)-2-甲基-4H-吡喃-4-酮 、 6-氨基己酸 以70%的产率得到6-(2-甲基-4-氧代-3-苯基甲氧基吡啶-1-基)己酸
  参考文献：
  名称：

  Pharmaceutical compositions of hydroxypyridones

  摘要：

  含有两个或更多环的化合物，其中一个是3-羟基吡啶-2-酮，3-羟基吡啶-4-酮或1-羟基吡啶-2-酮，它们被用于治疗体内有毒金属，尤其是铁，浓度过高的患者，而这些化合物的铁配合物在治疗缺铁性贫血方面也具有价值。

  公开号：

  US04666927A1

文献信息

• Pharmaceutical compositions
  申请人：National Research Development Corporation

  公开号：US04912118A1

  公开（公告）日：1990-03-27

  Compounds in which two or more rings, being a 3-hydroxpypyrid-2-one, 3-hydroypyrid-4-one or 1-hydropyrid-2-one, are linked are of value in the treatment of patients having a toxic concentration of a metal, particularly iron, in the body while the iron complexes of such compounds are of value in the treatment of iron deficien

  含有两个或更多环的化合物，其中一个是3-羟基吡啶-2-酮，3-羟基吡啶-4-酮或1-羟基吡啶-2-酮，这些化合物在治疗身体内含有毒性浓度的金属，特别是铁的患者方面具有价值，而这些化合物的铁络合物在治疗缺铁的情况下也具有价值。
• Iron complexes of hydroxypyridones useful for treating iron overload
  申请人：National Research Development Corporation

  公开号：US05104865A1

  公开（公告）日：1992-04-14

  Compounds in which two or more rings, being a 3-hydroxpypyrid-2-one, 3-hydroxypyrid-4-one or 1-hydroxpyrid-2-one, are linked are of value in the treatment of patients having a toxic concentration of a metal, particularly iron, in the body while the iron complexes of such compounds are of value in the treatment of iron deficiency anaemia.

  含有两个或多个环的化合物，其中一个环是3-羟基吡啶-2-酮，3-羟基吡啶-4-酮或1-羟基吡啶-2-酮，这些化合物在治疗体内具有毒性浓度的金属，特别是铁，的患者方面具有价值，而这些化合物的铁络合物在治疗缺铁性贫血方面具有价值。
• Hydroxypyridone derivatives and pharmaceutical compositions containing them
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0138421A2

  公开（公告）日：1985-04-24

  Compounds in which two or more rings, being a 3-hydroxpy- pyrid-2-one, 3-hydroxypyrid-4-one or 1-hydroxpyrid-2-one, are linked are of value in the treatment of patients having a toxic concentration of a metal, particularly iron, in the body whilst the iron complexes of such compounds are of value in the treatment of iron deficiency anaemia.

  两个或两个以上环（3-羟基吡啶-2-酮、3-羟基吡啶-4-酮或 1-羟基吡啶-2-酮）相连的化合物对治疗体内金属（尤其是铁）浓度过高的病人很有价值，而此类化合物的铁络合物对治疗缺铁性贫血症很有价值。
• US4912118A
  申请人：——

  公开号：US4912118A

  公开（公告）日：1990-03-27
• US5104865A
  申请人：——

  公开号：US5104865A

  公开（公告）日：1992-04-14