ethyl (R)-((S)-1-((R)-2-(4-isobutylphenyl)propanoyl)pyrrolidine-2-carbonylamino)-3-mercaptopropanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl (R)-((S)-1-((R)-2-(4-isobutylphenyl)propanoyl)pyrrolidine-2-carbonylamino)-3-mercaptopropanoate
• 英文别名: ethyl (2R)-2-[[(2S)-1-[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoate
• 化学式: C₂₃H₃₄N₂O₄S
• 分子量: 434.6
• InChiKey: UAODFZQNTNWKTN-UXPWSPDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-异丁基苯基)丙酰氯 在 sodium hydroxide 、 4 A molecular sieve 、 N,N'-羰基二咪唑 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 ethyl (R)-((S)-1-((R)-2-(4-isobutylphenyl)propanoyl)pyrrolidine-2-carbonylamino)-3-mercaptopropanoate
  参考文献：
  名称：

  Design and study of some novel ibuprofen derivatives with potential nootropic and neuroprotective properties

  摘要：

  Six novel ibuprofen derivatives and related structures, incorporating a proline moiety and designed for neurodegenerative disorders, are studied. They possess anti-inflammatory properties and three of them inhibited lipoxygenase. One compound was found to inhibit cyclooxygenase (COX)-2 production in spleenocytes from arthritic rats. The HS-containing compounds are potent antioxidants and one of them protected against glutathione loss after cerebral ischemia/reperfusion. They demonstrated lipid-lowering ability and seem to acquire low gastrointestinal toxicity. Acetylcholinesterase inhibitory activity, found in two of these compounds, may be an asset to their actions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.056

文献信息

• Design and study of some novel ibuprofen derivatives with potential nootropic and neuroprotective properties
  作者：Ioanna C. Siskou、Eleni A. Rekka、Angeliki P. Kourounakis、Michael C. Chrysselis、Kariofyllis Tsiakitzis、Panos N. Kourounakis

  DOI：10.1016/j.bmc.2006.10.056

  日期：2007.1

  Six novel ibuprofen derivatives and related structures, incorporating a proline moiety and designed for neurodegenerative disorders, are studied. They possess anti-inflammatory properties and three of them inhibited lipoxygenase. One compound was found to inhibit cyclooxygenase (COX)-2 production in spleenocytes from arthritic rats. The HS-containing compounds are potent antioxidants and one of them protected against glutathione loss after cerebral ischemia/reperfusion. They demonstrated lipid-lowering ability and seem to acquire low gastrointestinal toxicity. Acetylcholinesterase inhibitory activity, found in two of these compounds, may be an asset to their actions. (c) 2006 Elsevier Ltd. All rights reserved.