2-氨基-4-硼苯甲酸 | 85107-51-3

• 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-4-硼苯甲酸
• 英文名称: 2-amino-4-boronobenzoic acid
• 英文别名: 3-amino-4-carboxyphenylboronic acid；2-amino-4-dihydroxyboranyl-benzoic acid；2-Amino-4-dihydroxyboryl-benzoesaeure
• CAS: 85107-51-3
• 化学式: C₇H₈BNO₄
• 分子量: 180.956
• InChiKey: WMNPRECIOQCXGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.35
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氨基-4-硼苯甲酸 在 溴 作用下， 生成 2,2',2''-triamino-3,5,3',5',3'',5''-hexabromo-4,4',4''-boroxintriyl-tri-benzoic acid
  参考文献：
  名称：

  Torssell et al., Arkiv foer Kemi, 1957, vol. 10, p. 497,503

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-3-硝基苯硼酸 在 sodium hydroxide 、 potassium permanganate 、 乙醇 、 镍 作用下， 生成 2-氨基-4-硼苯甲酸
  参考文献：
  名称：

  Torssell et al., Arkiv foer Kemi, 1957, vol. 10, p. 497,503

  摘要：

  DOI：

文献信息

• [EN] HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS<br/>[FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION COMME MÉDICAMENTS THÉRAPEUTIQUES
  申请人：DONG-A SOCIO HOLDINGS CO LTD

  公开号：WO2017039331A1

  公开（公告）日：2017-03-09

  The present invention provides heterocyclic compounds, the stereoisomer thereof, the enantiomer thereof, or the pharmaceutically acceptable salt, which are capable of modulating the activity of Mer receptor tyrosine kinase (MERTK). This invention also provides pharmaceutical compositions thereof, methods to prepare the said compounds, and the use of such compounds as a medicament. The present invention is directed to MERTK inhibitory compounds with marked potency, thereby having an outstanding potential for a pharmaceutical intervention of cancer and any other diseases related to MERTK dysregulation.

  本发明提供了一种杂环化合物、其立体异构体、对映异构体或药用可接受的盐，这些化合物能够调节Mer受体酪氨酸激酶（MERTK）的活性。本发明还提供了这些化合物的药物组合物、制备所述化合物的方法以及将这些化合物用作药物的应用。本发明针对的是具有显著活性的MERTK抑制性化合物，因此具有在癌症和任何与MERTK调控失调相关的疾病中进行药物干预的卓越潜力。
• Derivatization and mass spectrometric investigations of substituted benzeneboronic acids. The use of linked scanning during gas chromatography mass spectrometry
  作者：Colin Longstaff、Malcolm Edward Rose

  DOI：10.1002/oms.1210171010

  日期：1982.10

  AbstractSubstituted benzeneboronic acids are important intermediates in the synthesis of support matrices for affinity chromatography but their analysis by mass spectrometry is hindered by thermal reactions in the ion source. A simple derivatization with 1,2‐ or 1,3‐diols removes this difficulty and imparts sufficient volatility for application of gas chromatography/mass spectrometry. The mass spectra of the resulting boronate esters are discussed with reference to high resolution measurements, isotope labelling studies and observation of metastable ions. ortho Substituents are shown to interact strongly during fragmentation. Linked scanning at constant B/E was used to characterize fragmentation pathways and the compatibility of linked scanning and GC/MS is reported.
• Structural study of phenyl boronic acid derivatives as AmpC β-lactamase inhibitors
  作者：Donatella Tondi、Samuele Calò、Brian K. Shoichet、Maria Paola Costi

  DOI：10.1016/j.bmcl.2010.04.007

  日期：2010.6

  A small set of boronic acids acting as low nanomolar inhibitors of AmpC beta-lactamase were designed and synthesized in the effort to improve affinity, pharmacokinetic properties, and to provide a valid lead compound. X-ray crystallography revealed the binary complex of the best inhibitor bound to the enzyme, highlighting possibilities for its further rational derivatization and chemical optimization. (C) 2010 Elsevier Ltd. All rights reserved.
• Torssell et al., Arkiv foer Kemi, 1957, vol. 10, p. 497,503
  作者：Torssell et al.

  DOI：——

  日期：——