2-(Ethoxymethylidene)-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide | 61643-55-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(Ethoxymethylidene)-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
• 英文别名: 2-(ethoxymethylidene)-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
• CAS: 61643-55-8
• 化学式: C₁₄H₁₄F₃NO₃
• 分子量: 301.265
• InChiKey: ULQOWBBYXNZBNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(Ethoxymethylidene)-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide 、 4-氟苯肼 以 乙醇 为溶剂， 生成 1-(4-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
  参考文献：
  名称：

  Synthesis and immunosuppressant activity of pyrazole carboxamides

  摘要：

  A series of novel pyrazole carboxamides is disclosed that demonstrate strong immunosuppressant activity in rodent and human mixed leukocyte response (MLR) assays (IC50 < 1 mu M). The synthesis, biological activity, mode of action, and pharmacokinetic properties of this new lead series are discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00501-0
• 作为产物：
  描述：

  3-氧代-N-(3-(三氟甲基)苯基)丁酰胺 、 原甲酸三乙酯 在 乙酸酐 作用下， 生成 2-(Ethoxymethylidene)-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
  参考文献：
  名称：

  Synthesis and immunosuppressant activity of pyrazole carboxamides

  摘要：

  A series of novel pyrazole carboxamides is disclosed that demonstrate strong immunosuppressant activity in rodent and human mixed leukocyte response (MLR) assays (IC50 < 1 mu M). The synthesis, biological activity, mode of action, and pharmacokinetic properties of this new lead series are discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00501-0

文献信息

• Synthesis and immunosuppressant activity of pyrazole carboxamides
  作者：Alan X. Wang、Qinghua Xie、Ben Lane、Karl W. Mollison、Gin C. Hsieh、Kennan Marsh、Michael P. Sheets、Jay R. Luly、Michael J. Coghlan

  DOI：10.1016/s0960-894x(98)00501-0

  日期：1998.10

  A series of novel pyrazole carboxamides is disclosed that demonstrate strong immunosuppressant activity in rodent and human mixed leukocyte response (MLR) assays (IC50 < 1 mu M). The synthesis, biological activity, mode of action, and pharmacokinetic properties of this new lead series are discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.