2-(3-hydroxy-benzoyl)-benzoic acid | 634602-13-4

• 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: 2-(3-hydroxy-benzoyl)-benzoic acid
• 英文别名: 3'-Oxy-α-oxo-diphenylmethan-carbonsaeure-(2)；3'-Oxy-benzophenon-carbonsaeure-(2)；2-(3-Hydroxy-benzoyl)-benzoesaeure；2-(3-Hydroxybenzoyl)benzoic acid
• CAS: 634602-13-4
• 化学式: C₁₄H₁₀O₄
• 分子量: 242.231
• InChiKey: HEOCXKJAGWBLSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  512.6±35.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 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：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-hydroxy-benzoyl)-benzoic acid 以 吡啶 、 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 6.0h， 生成 1-(4-Fluoro-benzoyl)-9b-(3-hydroxy-phenyl)-1,2,3,9b-tetrahydro-imidazo[2,1-a]isoindol-5-one
  参考文献：
  名称：

  The discovery of 1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-ones as a new class of respiratory syncytial virus (RSV) fusion inhibitors. Part 1

  摘要：

  Respiratory syncytial virus (RSV) is a major cause of respiratory tract infections in infants, young children and adults. Compound 1a (9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[ 2,1-a]isoindol-5-one) was identified as an inhibitor of A and B strains of RSV targeting the fusion glycoprotein. SAR was developed by systematic exploration of the phenyl (R-1) and benzoyl (R-2) groups. Furthermore, introduction of a nitrogen at the 8-position of the tricyclic core resulted in active analogues with improved properties (aqueous solubility, protein binding and logD) and excellent rat pharmacokinetics (e. g., rat oral bioavailability of 89% for compound 17). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.018
• 作为产物：
  描述：

  邻苯甲酰苯甲酸 在 硫酸 、 硝酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 9.0h， 生成 2-(3-hydroxy-benzoyl)-benzoic acid
  参考文献：
  名称：

  The discovery of 1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-ones as a new class of respiratory syncytial virus (RSV) fusion inhibitors. Part 1

  摘要：

  Respiratory syncytial virus (RSV) is a major cause of respiratory tract infections in infants, young children and adults. Compound 1a (9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[ 2,1-a]isoindol-5-one) was identified as an inhibitor of A and B strains of RSV targeting the fusion glycoprotein. SAR was developed by systematic exploration of the phenyl (R-1) and benzoyl (R-2) groups. Furthermore, introduction of a nitrogen at the 8-position of the tricyclic core resulted in active analogues with improved properties (aqueous solubility, protein binding and logD) and excellent rat pharmacokinetics (e. g., rat oral bioavailability of 89% for compound 17). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.018

文献信息

• DE148110
  申请人：——

  公开号：——

  公开（公告）日：——
• Arsenical Fluorescent Agents and Assays
  申请人：Beaulieu Laura Ellen Downs

  公开号：US20110229929A1

  公开（公告）日：2011-09-22

  The invention provides methods and compositions for labeling dithiol-containing analytes.
• US4058529A
  申请人：——

  公开号：US4058529A

  公开（公告）日：1977-11-15
• US8664009B2
  申请人：——

  公开号：US8664009B2

  公开（公告）日：2014-03-04
• [EN] ARSENICAL FLUORESCENT AGENTS AND ASSAYS<br/>[FR] AGENTS FLUORESCENTS ARSENICAUX ET DOSAGES
  申请人：STANFORD RES INST INT

  公开号：WO2011116401A2

  公开（公告）日：2011-09-22

  The invention provides methods and compositions for labeling dithiol-containing analytes.