1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid | 78364-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid
• 英文别名: 1-Oxo-2-phenyl-1,2-dihydro-isochinolin-4-carbonsaeure；1-oxo-2-phenylisoquinoline-4-carboxylic acid
• CAS: 78364-18-8
• 化学式: C₁₆H₁₁NO₃
• mdl: MFCD00140320
• 分子量: 265.268
• InChiKey: BALOZOOEIKLLSQ-UHFFFAOYSA-N

物化性质

• 熔点：
  266 °C(Solv: acetic acid (64-19-7))
• 沸点：
  443.5±45.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Dieckmann; Meiser, Chemische Berichte, 1908, vol. 41, p. 3259

  摘要：

  DOI：
• 作为产物：
  描述：

  邻羧基苯乙酸 在 sodium hydroxide 、 乙酸酐 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid
  参考文献：
  名称：

  Wolfbeis, Otto S., Liebigs Annalen der Chemie, 1981, # 5, p. 819 - 827

  摘要：

  DOI：

文献信息

• INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN
  申请人：Praxis Biotech LLC

  公开号：US20190185451A1

  公开（公告）日：2019-06-20

  Compounds and compositions for modulating fibroblast activation protein (FAP) are described. The compounds and compositions may find use as therapeutic agents for the treatment of diseases, including hyperproliferative diseases.

  描述了用于调节成纤维细胞活化蛋白（FAP）的化合物和组合物。这些化合物和组合物可能被用作治疗疾病的治疗剂，包括高增殖性疾病。
• ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS
  申请人：Simonsen Klaus Baek

  公开号：US20090143402A1

  公开（公告）日：2009-06-04

  Isoquinolone derivatives of the general formula are provided. The compounds are NK3 antagonists and useful for the treatment of e.g. psychosis and schizophrenia.

  提供了一般化合物的异喹啉衍生物。这些化合物是NK3拮抗剂，可用于治疗精神病和精神分裂症等疾病。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：Thompson C. Richard

  公开号：US20050267150A1

  公开（公告）日：2005-12-01

  Disclosed are compounds which inhibit β-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions that include a compound which inhibits β-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制β-淀粉样肽释放和/或其合成的化合物，据此，该化合物在治疗阿尔茨海默病方面具有用途。本发明还涉及包括抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这种药物组合物在预防和治疗阿尔茨海默病方面的方法。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20040106598A1

  公开（公告）日：2004-06-03

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions that include a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及抑制β-淀粉样肽释放和/或合成的化合物，因此在治疗阿尔茨海默病方面具有用途。还公开了包括抑制β-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防和治疗阿尔茨海默病的方法。
• Simple One-Pot Synthesis of Disulfide Fragments for Use in Disulfide-Exchange Screening
  作者：Mark A. Burlingame、Christopher T. M. B. Tom、Adam R. Renslo

  DOI：10.1021/co200038g

  日期：2011.5.9

  Disulfide exchange screening is a method for evaluating the binding of small molecule fragments to proteins that have at least one accessible cysteine. While operationally simple, it does require a large library of small fragment molecules bearing disulfide-containing side chains. These specialized fragments are not available commercially and this has limited the adoption of the method. We report here a convenient one-pot procedure that enables facile preparation of disulfide screening fragments while also producing less of an environmental impact. The new synthetic method involves the initial formation of symmetric disulfides, followed by a disulfide exchange reaction in Which the symmetrical dimer is converted into the final screening fragment by introduction of a solubilizing 'cap'. The method is amenable to parallel synthetic methods and can be carried out in air without the need for the specialized equipment typically required for performing organic synthesis.