6-amino-[1,1'-biphenyl]-2-carboxylic acid | 91718-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-amino-[1,1'-biphenyl]-2-carboxylic acid
• 英文别名: 6-Amino-2-biphenylcarbonsaeure；3-Amino-2-phenylbenzoic acid
• CAS: 91718-53-5
• 化学式: C₁₃H₁₁NO₂
• 分子量: 213.236
• InChiKey: OCPBDIONVKTARR-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：
  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

反应信息

• 作为反应物：
  描述：

  6-amino-[1,1'-biphenyl]-2-carboxylic acid 生成 6β-(6-chloro-biphenyl-2-carbonylamino)-penicillanic acid
  参考文献：
  名称：

  半合成青霉素。I.2-联苯苄青霉素。

  摘要：

  DOI：

  10.1021/jm00333a001
• 作为产物：
  描述：

  6-甲基-2-硝基联苯 在 palladium on activated charcoal 吡啶 、 potassium permanganate 、 水 、 氢气 作用下， 以 乙醇 为溶剂， 生成 6-amino-[1,1'-biphenyl]-2-carboxylic acid
  参考文献：
  名称：

  半合成青霉素。I.2-联苯苄青霉素。

  摘要：

  DOI：

  10.1021/jm00333a001

文献信息

• [EN] TROPANE COMPOUNDS<br/>[FR] COMPOSÉS DE TROPANE
  申请人：EXELIXIS INC

  公开号：WO2009055077A1

  公开（公告）日：2009-04-30

  A compound according to Formula I or II: (I) or (II) wherein R1, R1b, R2, L1, and L2 and L2b are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  根据公式I或II的化合物：（I）或（II），其中R1、R1b、R2、L1和L2以及L2b的定义如规范中所述，以及其药物组合物和使用方法。
• Exploration of Biaryl Carboxylic Acids as Proton Shuttles for the Selective Functionalization of Indole C–H Bonds
  作者：Jing-Jing Pi、Xiao-Yu Lu、Jing-Hui Liu、Xi Lu、Bin Xiao、Yao Fu、Nicolas Guimond

  DOI：10.1021/acs.joc.8b00417

  日期：2018.5.18

  A survey of diversely substituted 2-arylbenzoic acids were synthesized and tested for use as proton shuttle in the direct arylation of indoles with bromobenzenes. It was found that 3-ethoxy-2-phenylbenzoic acid gives superior yield and selectivity for this class of substrates.
• Synthesis of substituted 5[H]phenanthridin-6-ones as potent poly(ADP-ribose)polymerase-1 (PARP1) inhibitors
  作者：Jia-He Li、Larisa Serdyuk、Dana V. Ferraris、Ge Xiao、Kevin L. Tays、Paul W. Kletzly、Weixing Li、Susan Lautar、Jie Zhang、Vincent J. Kalish

  DOI：10.1016/s0960-894x(01)00281-5

  日期：2001.7

  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.
• TROPANE COMPOUNDS
  申请人：Exelixis, Inc.

  公开号：EP2074120A1

  公开（公告）日：2009-07-01
• TREATMENT AND PREVENTION OF AUTISM AND AUTISM SPECTRUM DISORDERS
  申请人：THE ROCKEFELLER UNIVERSITY

  公开号：US20160206581A1

  公开（公告）日：2016-07-21

  In some embodiments, the present invention provides certain compositions and methods that may be useful in the treatment and/or prevention of a neurodevelopmental disorder, such as autism or an autism spectrum disorder (ASD). In some such embodiments, compositions are provided that contain at least one fenamate active agent, such as mefenamic acid, or an analogue or derivative thereof. In some embodiments, such compositions may also comprise an additional active agent, such as gabapentin, or an analogue or derivative thereof.