2-氨基联苯-2-羧酸 | 62938-98-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基联苯-2-羧酸
• 英文名称: 2-(2-aminophenyl)benzoic acid
• CAS: 62938-98-1
• 化学式: C₁₃H₁₁NO₂
• 分子量: 213.236
• InChiKey: MPXGYUHMYYDRPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  2-氨基联苯-2-羧酸 在 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 生成 5H-phenanthridin-6-one-10-carboxylic acid
  参考文献：
  名称：

  Synthesis of substituted 5[H]phenanthridin-6-ones as potent poly(ADP-ribose)polymerase-1 (PARP1) inhibitors

  摘要：

  1-, 2-, 3-, 4-, 8-, or 10-Substituted 5(H)phenanthridin-6-ones were synthesized and found to be potent PARP1 inhibitors. Among the 28 compounds prepared. some showed not only low IC50 values (compound 1b, 10 nM) but also desirable water solubility characteristics. These properties, which are superior to the common PARP1 inhibitors such as benzamides and isoquinolin-1-ones, are essential for potential therapeutic usage. The variety of compounds allows SAR analysis of favored substituents and substituted positions on 5(H)phenanthridin-6-one ring. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00281-5
• 作为产物：
  描述：

  2-(2-硝基苯基)苯甲酸 在 镍 、 肼 作用下， 以 甲醇 为溶剂， 生成 2-氨基联苯-2-羧酸
  参考文献：
  名称：

  Synthesis of substituted 5[H]phenanthridin-6-ones as potent poly(ADP-ribose)polymerase-1 (PARP1) inhibitors

  摘要：

  1-, 2-, 3-, 4-, 8-, or 10-Substituted 5(H)phenanthridin-6-ones were synthesized and found to be potent PARP1 inhibitors. Among the 28 compounds prepared. some showed not only low IC50 values (compound 1b, 10 nM) but also desirable water solubility characteristics. These properties, which are superior to the common PARP1 inhibitors such as benzamides and isoquinolin-1-ones, are essential for potential therapeutic usage. The variety of compounds allows SAR analysis of favored substituents and substituted positions on 5(H)phenanthridin-6-one ring. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00281-5

文献信息

• Design and synthesis of potential β-sheet nucleators via Suzuki coupling reaction
  作者：Elisa Perissutti、Francesco Frecentese、Antonio Lavecchia、Ferdinando Fiorino、Beatrice Severino、Francesca De Angelis、Vincenzo Santagada、Giuseppe Caliendo

  DOI：10.1016/j.tet.2007.09.071

  日期：2007.12

  Three series of compounds characterized by biphenylic structure were synthesized in order to develop new scaffolds able to induce P-sheet folding in the peptides. Microwave flash heating was used in order to shorten reaction times and to enhance the obtained yields. Simulated annealing molecular dynamics simulations demonstrated that some of the compounds were capable of adopting a 15-membered intramolecularly hydrogen-bonded conformation, which supports an antiparallel beta-sheet structure. (c) 2007 Elsevier Ltd. All rights reserved.
• Preparation process of thermoplastic resin composite
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0386973B1

  公开（公告）日：1997-05-14
• COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES
  申请人：NOVO NORDISK A/S

  公开号：EP0910579A1

  公开（公告）日：1999-04-28
• SYNBODIES TO AKT1
  申请人：Johnston Stephen A.

  公开号：US20120220540A1

  公开（公告）日：2012-08-30

  The present application provides synbodies against AKT1 differing in amino acid sequence, conjugation chemistry, linker/scaffold, or adjunct moiety. The synbodies are useful for diagnosis and treatment of cancer and as research reagents.
• US5321087A
  申请人：——

  公开号：US5321087A

  公开（公告）日：1994-06-14