ethyl 3-cyano-2-methylsulfanyl-4-oxo-4H-quinolizine-1-carboxylate | 22353-62-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹嗪类
• 英文名称: ethyl 3-cyano-2-methylsulfanyl-4-oxo-4H-quinolizine-1-carboxylate
• 英文别名: 3-cyano-2-methylsulfanyl-4-oxo-4H-quinolizine-1-carboxylic acid ethyl ester；3-cyano-1-ethoxycarbonyl-2-methylthio-4H-quinolizin-4-one；ethyl 3-cyano-2-methylthio-4H-quinolizin-4-one-1-carboxylate；ethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
• CAS: 22353-62-4
• 化学式: C₁₄H₁₂N₂O₃S
• 分子量: 288.327
• InChiKey: CCWKSNPHPDSVET-UHFFFAOYSA-N

物化性质

• 沸点：
  430.6±45.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-cyano-2-methylsulfanyl-4-oxo-4H-quinolizine-1-carboxylate 生成 3-Cyano-1-ethoxycarbonyl-2-(1-pyrrolidinyl)-4H-quinolizin-4one
  参考文献：
  名称：

  KURASINA, KIITI;MIYATA, XIROSI;MAMOSEH, DEHNITI

  摘要：

  DOI：
• 作为产物：
  描述：

  2-吡啶乙酸乙酯 、 2-氰-3,3-二(甲硫基)丙烯酸甲酯 以 甲醇 为溶剂， 生成 ethyl 3-cyano-2-methylsulfanyl-4-oxo-4H-quinolizine-1-carboxylate
  参考文献：
  名称：

  4H-quinolizin-4-one compounds exhibiting therapeutic activities

  摘要：

  这项发明提供了新颖的4H-喹诺啉-4-酮化合物，对IgE抗体形成具有选择性抑制活性，并可用于治疗与IgE形成有关的哺乳动物疾病，如过敏性支气管哮喘、过敏性鼻炎、特应性皮炎、过敏性反应等。

  公开号：

  US04904657A1

文献信息

• 4H-quinolizin-4-ones for treatment of diseases associated with
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：US04935425A1

  公开（公告）日：1990-06-19

  This invention provides novel 4H-quinolizin-4-one compounds which exhibit a selective inhibitory activity against IgE-antibody formation, and have utility for treatment of diseases associated with IgE formation in mammals, such as allergic bronchial asthma, allergic rhinitis, atopic dermatitis, hypersensitiveness, and the like.

  本发明提供了新型的4H-喹唑啉-4-酮化合物，其表现出对IgE抗体形成的选择性抑制活性，并具有治疗与哺乳动物中IgE形成相关的疾病的用途，例如过敏性支气管哮喘，过敏性鼻炎，特应性皮炎，过敏性反应等。
• 4H-Quinolizin-4-one compounds exhibiting therapeutic activities
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP0309260A1

  公开（公告）日：1989-03-29

  This invention provides novel 4H-quinolizin-4-one compounds which exhibit a selective inhibitory activity against IgE-antibody formation, and have utility for treatment of diseases associated with IgE formation in mammals, such as allergic bronchial asthma, allergic rhinitis, atopic dermatitis, hypersensitiveness, and the like.

  本发明提供的新型 4H-quinolizin-4-one 化合物对 IgE 抗体的形成具有选择性抑制活性，可用于治疗哺乳动物体内与 IgE 形成相关的疾病，如过敏性支气管哮喘、过敏性鼻炎、特应性皮炎、过敏性疾病等。
• 4H-quinolizin-4-one compounds and pharmaceutical compositions containing them
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP0317295A2

  公开（公告）日：1989-05-24

  4H-Quinolizin-4-one compounds of the formula: where R is an alkyl or phenylalkyl group; Y is an alkylene, n is zero or 1, A is an aromatic heterocyclic group, a cycloalkyl group, or a heterocyclic group; exhibit a selective inhibitory activity against IgE-antibody formation, and have utility for treatment of diseases associated with IgE formation in mammals, such as allergic bronchial asthma, allergic rhinitis, atopic dermatitis and hypersensitiveness. The invention also provides pharmaceutical compositions containing such compounds.

  式中的 4H-喹嗪-4-酮化合物： 其中 R 为烷基或苯基烷基；Y 为亚烷基，n 为 0 或 1，A 为芳香杂环基、环烷基或杂环基；对 IgE 抗体的形成具有选择性抑制活性，可用于治疗哺乳动物中与 IgE 形成有关的疾病，如过敏性支气管哮喘、过敏性鼻炎、特应性皮炎和过敏性疾病。本发明还提供了含有此类化合物的药物组合物。
• Synthesis of Quinolizino[3,2-a]quinolizine Derivatives and Their Fluorescence
  作者：Yoshinori Tominaga、Kenichirou Yokota、Masayori Hagimori、Yasuhiro Shigemitsu、Naoko Mizuyama、Bo-Cheng Wang

  DOI：10.3987/com-08-11614

  日期：——

  Polycyclic quinolizine derivatives, quinolizino[3,2-a]quinolizines (4a-c), were synthesized in moderate yields by a one-pot method using ketene dithioacetal, methyl bis(methylsulfanyl)methylene-cyanoacetate (2), alkyl 2-pyridylacetates (1a, b), and 2-pyridylacetonitrile (1c). Compounds 4a, b exhibited red fluorescence (Em max: 576 nm) in solid state.
• KURASINA, KIITI;MIYATA, XIROSI;MOMOSEH, DEHNITI
  作者：KURASINA, KIITI、MIYATA, XIROSI、MOMOSEH, DEHNITI

  DOI：——

  日期：——

表征谱图