双(3-氯苯基)硼酸 | 433338-06-8

• 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: 双(3-氯苯基)硼酸
• 英文名称: bis(3-chlorophenyl)borinic acid
• 英文别名: 3-chlorophenylboronic acid；bis(3-chlorophenyl)boronic acid；di-(3-chlorophenyl)borinic acid；di(3-chlorophenyl)borinic acid
• CAS: 433338-06-8
• 化学式: C₁₂H₉BCl₂O
• 分子量: 250.92
• InChiKey: HEMGPARMYBRMGB-UHFFFAOYSA-N

物化性质

• 沸点：
  385.9±52.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  双(3-氯苯基)硼酸 、 3-羟基-2-吡啶甲酸 以 乙醇 、 水 为溶剂， 生成 Bis(3-chlorophenyl)boranyl 3-hydroxypyridine-2-carboxylate
  参考文献：
  名称：

  Identification of a novel boron-containing antibacterial agent (AN0128) with anti-inflammatory activity, for the potential treatment of cutaneous diseases

  摘要：

  A series of borinic acid picolinate esters were synthesized and screened for their minimum inhibitory concentration (MIC) against Gram-positive and -negative bacteria. Our lead compounds were then screened for anti-inflammatory activity. From these studies, we identified 3-hydroxypyridine-2-carbonyloxy-bis(3-chloro-4-methylphenyl)borane (2g, AN0128) as having the best combination of anti-bacterial and anti-inflammatory activities. This compound is now in clinical development for dermatological conditions.

  DOI：

  10.1016/j.bmcl.2006.08.130
• 作为产物：
  描述：

  2-aminoethyl bis(3-chlorophenyl)borate 在 盐酸 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 2.0h， 以57%的产率得到双(3-氯苯基)硼酸
  参考文献：
  名称：

  Borinic acid catalysed peptide synthesis

  摘要：

  2-氯苯硼酸据报道在分子筛存在下催化二肽合成，且无外消旋作用。

  DOI：

  10.1039/c5cc06177f

文献信息

• Treatment of bacterial induced diseases using DNA methyl transferase inhibitors
  申请人：Benkovic J. Stephen

  公开号：US20050227933A1

  公开（公告）日：2005-10-13

  Methods for treating and/or preventing disease conditions caused or induced or aggravated by microbes, especially bacteria, by inhibiting DNA methyltransferase activity, such as by administering to an animal a DNA methyltransferase inhibitor, are disclosed, along with methods of reducing or ablating virulence in bacteria by inhibiting DNA methyltransferase activity.

  通过抑制DNA甲基转移酶活性，例如通过向动物施用DNA甲基转移酶抑制剂，来治疗和/或预防由微生物，特别是细菌引起、诱导或加重的疾病状况的方法被揭示，同时还揭示了通过抑制DNA甲基转移酶活性来减少或消除细菌的毒力的方法。
• Compounds for the Treatment of Periodontal Disease
  申请人：Sanders Virginia

  公开号：US20070286822A1

  公开（公告）日：2007-12-13

  Compounds, compositions and methods are provided which are useful in the treatment of periodontal disease.

  提供了在牙周病治疗中有用的化合物、组合物和方法。
• Antibiotics containing borinic acid complexes and methods of use
  申请人：Lee Ving

  公开号：US20050070503A1

  公开（公告）日：2005-03-31

  The structure and preparation of antibiotics incorporating borinic acid complexes are disclosed, especially hydroxyquinoline, imidazole and picolinic acid derivatives, along with compositions of these antibiotics and methods of using the antibiotics and compositions as bactericidal and fungicidal agents as well as therapeutic agents for the treatment of diseases caused by bacteria and fungi.

  揭示了含硼酸配合物的抗生素的结构和制备，特别是羟基喹啉、咪唑和吡啶甲酸衍生物，以及这些抗生素的组成物和使用这些抗生素和组成物作为杀菌和杀真菌剂以及治疗由细菌和真菌引起的疾病的方法。
• [EN] ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES<br/>[FR] UTILISATIONS ANTIPARASITES DE COMBLEXES D'ACIDE BORONIQUE
  申请人：ANACOR PHARMACEUTICALS INC

  公开号：WO2005123095A1

  公开（公告）日：2005-12-29

  Compositions and methods of use of borinic acid complexes, especially hydroxyquinoline, imidazole and picolinic acid derivatives as anti-parasitic agents as well as therapeutic agents for the treatment of diseases caused by parasite are described.

  描述了硼酸配合物的组成和使用方法，特别是羟基喹啉、咪唑和吡啶酸衍生物作为抗寄生虫剂以及治疗由寄生虫引起的疾病的药物。
• Anti-viral uses of borinic acid complexes
  申请人：Bellinger-Kawahara Carolyn

  公开号：US20060019927A1

  公开（公告）日：2006-01-26

  Compositions and methods of use of borinic acid complexes, especially hydroxyquinoline, imidazole and picolinic acid derivatives, as anti-viral agents as well as therapeutic agents for the treatment of diseases caused by viruses are described.

  本文描述了硼酸配合物的组成和使用方法，特别是羟基喹啉、咪唑和吡啶甲酸衍生物，作为抗病毒剂以及治疗由病毒引起的疾病的治疗剂。