3-phenoxy-2-pyridinecarboxylic acid | 103877-89-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-phenoxy-2-pyridinecarboxylic acid
• 英文别名: 3-Phenoxypyridine-2-carboxylic acid
• CAS: 103877-89-0
• 化学式: C₁₂H₉NO₃
• mdl: MFCD13178194
• 分子量: 215.208
• InChiKey: IBQCJIMAXSKLKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-phenoxy-2-pyridinecarboxylic acid 、 N-(3-aminopropyl)-4-(dihydroindenyl)piperidine 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 0.58h， 生成 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)pyridine-2-carboxamide
  参考文献：
  名称：

  Identification of a Novel Spiropiperidine Opioid Receptor-like 1 Antagonist Class by a Focused Library Approach Featuring 3D-Pharmacophore Similarity

  摘要：

  A focused library approach identifying novel leads to develop a potent ORL1 antagonist is described. Beginning from a compound identified by random screening, an exploratory library that exhibited a diverse display of pharmacophores was designed. After evaluating ORL1 antagonistic activity, a highly focused library was designed based on 3D-pharmacophore similarity to known actives. A novel D-proline amide class was identified in this library and was found to possess potent ORL1 antagonistic activity.

  DOI：

  10.1021/jm0509851

文献信息

• Ethylenediamine monoamides
  申请人：Hoffmann-La Roche Inc.

  公开号：US04764522A1

  公开（公告）日：1988-08-16

  Compounds of the formula ##STR1## wherein R is an aromatic, 5- or 6-membered heterocyclic residue, as described herein, and their pharmaceutically usable acid addition salts are described. These compounds have interesting monoamine oxidase inhibiting properties with low toxicity and can accordingly be used for the treatment of depressive states and parkinsonism.

  该公式的化合物为##STR1##，其中R是一种芳香族、5-或6-成员杂环残基，如本文所述，并描述了它们的药用酸盐。这些化合物具有有趣的单胺氧化酶抑制性能，毒性低，因此可用于治疗抑郁症和帕金森病。
• Herbicidal carboxamide derivatives
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0447004B1

  公开（公告）日：1998-01-28
• ——
  作者：IMHOF R.、 KYBURZ E.

  DOI：——

  日期：——
• Herbicidal acrylonitrile derivatives
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0434132B1

  公开（公告）日：1995-04-05
• Intermediates for herbicidal carboxamide derivatives
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0806414B1

  公开（公告）日：2002-06-12