ethyl (2E)-2-[(3-chlorophenyl)methylene]-3-oxo-butanoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ethyl (2E)-2-[(3-chlorophenyl)methylene]-3-oxo-butanoate
• 英文别名: ethyl (2E)-2-[(3-chlorophenyl)methylidene]-3-oxobutanoate
• 化学式: C₁₃H₁₃ClO₃
• 分子量: 252.69
• InChiKey: XNQUEGZRSAENCP-XYOKQWHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)but-1-en-2-amine 、 ethyl (2E)-2-[(3-chlorophenyl)methylene]-3-oxo-butanoate 生成 ethyl 4-(3-chlorophenyl)-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  POINDEXTER, G. S.;TEMPLE, D. L. (JR)

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氯苯甲醛 、 乙酰乙酸乙酯 、 溶剂黄146 生成 ethyl (2E)-2-[(3-chlorophenyl)methylene]-3-oxo-butanoate
  参考文献：
  名称：

  POINDEXTER, GRAHAM S.;TEMPLE, DAVIS L.

  摘要：

  DOI：

文献信息

• NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1318147A1

  公开（公告）日：2003-06-11

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  非手性嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并且当口服时表现出镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。
• Pyrimidine derivatives and new pyridine derivatives
  申请人：AJINOMOTO CO., INC.

  公开号：US20040009991A1

  公开（公告）日：2004-01-15

  Achirai pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels. 1

  Achirai嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。
• [EN] 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE 4H-[1,2,4]TRIAZOLO[5,1-B]PYRIMIDIN-7-ONE À TITRE D'ANTAGONISTES DES RÉCEPTEURS CCR2B
  申请人：ASTRAZENECA AB

  公开号：WO2011114148A1

  公开（公告）日：2011-09-22

  The present invention relates to novel compounds for use in the compositions, to processes for their preparation, to intermediates useful in their preparation and to their use as therapeutic agents. The present invention also relates to pharmaceutical compositions, which comprise compounds that act via antagonism of the CCR2b receptor for which MCP-1 is one of the known ligands and so may be used to treat inflammatory disease, atherosclerosis, diabetes, obesity, cancer, chronic obstructive pulmonary disease (COPD) rheumatoid arthritis and/or neuropathic pain, which is mediated by these receptors.

  本发明涉及用于组合物中的新化合物，用于它们的制备过程，用于它们的制备中有用的中间体以及它们作为治疗剂的用途。本发明还涉及包含通过对CCR2b受体的拮抗作用而起作用的化合物的药物组合物，其中MCP-1是已知的配体之一，因此可用于治疗由这些受体介导的炎症性疾病、动脉粥样硬化、糖尿病、肥胖症、癌症、慢性阻塞性肺病（COPD）、类风湿性关节炎和/或由这些受体介导的神经病痛。
• 1,4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：Chen Rong

  公开号：US20140364443A1

  公开（公告）日：2014-12-11

  Disclosed are 1,4-dihydro-naphthyridine derivatives and pharmaceutical composition and uses thereof. The 1,4-dihydro-naphthyridine derivatives are a compound capable of inhibiting acetylcholinesterase activity and preventing extracellular calcium from flowing into a cell via a calcium channel, i.e., having a dual-activity, which are of potential importance as a pharmaceutical and can be used to prepare the drugs for treating cardiovascular diseases, cerebrovascular diseases and dementia.

  本文披露了1,4-二氢-萘啶衍生物及其药物组合物和用途。1,4-二氢-萘啶衍生物是一种能够抑制乙酰胆碱酯酶活性并通过钙通道阻止细胞外钙流入细胞的化合物，即具有双重活性，对于制备用于治疗心血管疾病、脑血管疾病和痴呆症的药物具有潜在重要性。
• Pyrazolopyridine derivatives
  申请人：Abe Yoshito

  公开号：US20060004003A1

  公开（公告）日：2006-01-05

  The invention relates to compound of the formula (I) or its salt, in which R 1 , R 2 , R 3 and R 4 are as defined in the description, their use of as medicament, the process for their preparation and use for the treatment of PDE-IV or TNF-α mediated diseases.

  该发明涉及式(I)的化合物或其盐，其中R1、R2、R3和R4如描述中定义，它们作为药物的用途，它们的制备过程以及用于治疗PDE-IV或TNF-α介导的疾病的用途。