2-[[1-(2-Cyclohexylethyl)imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one | 570398-54-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[[1-(2-Cyclohexylethyl)imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one
• CAS: 570398-54-8
• 化学式: C₂₄H₃₃N₃O₃
• 分子量: 411.544
• InChiKey: JNWBYAZWNZUINP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[1-(2-Cyclohexylethyl)imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one 生成 (-)-(2S)-2-{[1-(2-Cyclohexylethyl)-1H-imidazol-4-yl]methyl}-4-(4-methoxybenzyl)-3-morpholinone 、
  参考文献：
  名称：

  Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor

  摘要：

  A suitable inhibitor of activated thrombin activatable. brinolysis inhibitor (TAFIa) has the potential to be a novel treatment for thrombosis. The TAFIa inhibitor UK-396082 (1) was used as a starting point to seek more potent analogues. With knowledge of encouraging human pharmacokinetics and toleration for the clinical candidate (1), the programme continued to seek structure-activity relationships (SAR) that could positively impact on both potency and half-life, and therefore the projected dose of any future nominated clinical agent. A series of oxygenated analogues based on compound 1 were prepared to evaluate changes in pharmacology, selectivity and pharmacokinetics. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.029
• 作为产物：
  描述：

  2-[[1-(2-Cyclohexylethyl)imidazol-4-yl]methylidene]-4-[(4-methoxyphenyl)methyl]morpholin-3-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-[[1-(2-Cyclohexylethyl)imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one
  参考文献：
  名称：

  Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor

  摘要：

  A suitable inhibitor of activated thrombin activatable. brinolysis inhibitor (TAFIa) has the potential to be a novel treatment for thrombosis. The TAFIa inhibitor UK-396082 (1) was used as a starting point to seek more potent analogues. With knowledge of encouraging human pharmacokinetics and toleration for the clinical candidate (1), the programme continued to seek structure-activity relationships (SAR) that could positively impact on both potency and half-life, and therefore the projected dose of any future nominated clinical agent. A series of oxygenated analogues based on compound 1 were prepared to evaluate changes in pharmacology, selectivity and pharmacokinetics. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.029

文献信息

• Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor
  作者：Dafydd R. Owen、David J. Bull、Mark E. Bunnage、Melanie S. Glossop、Robert J. Maguire、Ross S. Strang

  DOI：10.1016/j.bmcl.2009.11.029

  日期：2010.1

  A suitable inhibitor of activated thrombin activatable. brinolysis inhibitor (TAFIa) has the potential to be a novel treatment for thrombosis. The TAFIa inhibitor UK-396082 (1) was used as a starting point to seek more potent analogues. With knowledge of encouraging human pharmacokinetics and toleration for the clinical candidate (1), the programme continued to seek structure-activity relationships (SAR) that could positively impact on both potency and half-life, and therefore the projected dose of any future nominated clinical agent. A series of oxygenated analogues based on compound 1 were prepared to evaluate changes in pharmacology, selectivity and pharmacokinetics. (C) 2009 Elsevier Ltd. All rights reserved.