3-Acetyl-6-ethyl-5-propionyl-1H-pyridin-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Acetyl-6-ethyl-5-propionyl-1H-pyridin-2-one
• 英文别名: 3-acetyl-6-ethyl-5-propanoyl-1H-pyridin-2-one
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: CDQRMUBLKFFEFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Acetyl-6-ethyl-5-propionyl-1H-pyridin-2-one 在 5,5-二溴巴比妥酸 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-bromoacetyl)-6-ethyl-5-propionyl-1H-pyridin-2-one
  参考文献：
  名称：

  Pyrid-2-one derivatives and methods of use

  摘要：

  所选化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，以及用于预防和治疗涉及中风、癌症等疾病和其他疾病或病况的药物组合物和方法。该主题发明还涉及制备此类化合物的方法，以及在这些过程中有用的中间体。

  公开号：

  US20040147561A1
• 作为产物：
  描述：

  乙酰乙酰胺 、 4-(dimethylaminomethylene)heptane-3,5-dione 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以80%的产率得到3-Acetyl-6-ethyl-5-propionyl-1H-pyridin-2-one
  参考文献：
  名称：

  3-Acetyl-5-acylpyridin-2(1H)-ones and 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones: synthesis, cardiotonic activity and computational studies

  摘要：

  A series of milrinone analogues, namely 6-substituted 3-acetyl-5-acylpyridin-2(1H)-ones 4a-c, e, f and 7-substituted or unsubstituted 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones 4g-j, in which the cyano group was replaced by the acetyl function, was prepared. In a preliminary pharmacological investigation on spontaneously beating atria from reserpine-treated guinea-pigs, all new compounds did not induce any inotropic effect equivalent or higher than that of the milrinone chosen as the reference compound. In order to rationalise how the structure modifications influence the activity and the selectivity of the title compounds, a computational study has been performed. The important role of the substituents in position-3 and -6 on the pyridone nucleus has been highlighted. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00053-1

文献信息

• 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES
  申请人：AMGEN INC.

  公开号：EP1575947A1

  公开（公告）日：2005-09-21
• [EN] 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES<br/>[FR] DERIVES DE PYRIDE-2-ONE ET PROCEDES D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2004060890A1

  公开（公告）日：2004-07-22

  Compounds of formula I are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involvong stroke, cancer and the like.
• Pyrid-2-one derivatives and methods of use
  申请人：——

  公开号：US20040147561A1

  公开（公告）日：2004-07-29

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，以及用于预防和治疗涉及中风、癌症等疾病和其他疾病或病况的药物组合物和方法。该主题发明还涉及制备此类化合物的方法，以及在这些过程中有用的中间体。
• 3-Acetyl-5-acylpyridin-2(1H)-ones and 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones: synthesis, cardiotonic activity and computational studies
  作者：Eleonora Lo Presti、Raffaella Boggia、Antonio Feltrin、Giulia Menozzi、Paola Dorigo、Luisa Mosti

  DOI：10.1016/s0014-827x(99)00053-1

  日期：1999.7

  A series of milrinone analogues, namely 6-substituted 3-acetyl-5-acylpyridin-2(1H)-ones 4a-c, e, f and 7-substituted or unsubstituted 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones 4g-j, in which the cyano group was replaced by the acetyl function, was prepared. In a preliminary pharmacological investigation on spontaneously beating atria from reserpine-treated guinea-pigs, all new compounds did not induce any inotropic effect equivalent or higher than that of the milrinone chosen as the reference compound. In order to rationalise how the structure modifications influence the activity and the selectivity of the title compounds, a computational study has been performed. The important role of the substituents in position-3 and -6 on the pyridone nucleus has been highlighted. (C) 1999 Elsevier Science S.A. All rights reserved.