5-(4-(1H-tetrazol-5-yl)phenoxy)benzo[c][1,2]oxaborol-1(3H)-ol | 947162-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-(1H-tetrazol-5-yl)phenoxy)benzo[c][1,2]oxaborol-1(3H)-ol
• 英文别名: 5-[4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenyl]-2H-tetrazole
• CAS: 947162-19-8
• 化学式: C₁₄H₁₁BN₄O₃
• 分子量: 294.077
• InChiKey: SQSXECIJZFMGMP-UHFFFAOYSA-N

物化性质

• 沸点：
  515.4±60.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  93.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-[(1,3-二氢-1-羟基-2,1-苯并氧杂硼杂环戊烷-5-基)氧基]苯甲腈 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以23%的产率得到5-(4-(1H-tetrazol-5-yl)phenoxy)benzo[c][1,2]oxaborol-1(3H)-ol
  参考文献：
  名称：

  Compounds for the Treatment of Periodontal Disease

  摘要：

  提供了在牙周病治疗中有用的化合物、组合物和方法。

  公开号：

  US20070286822A1

文献信息

• Boron-containing small molecules
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：US07767657B2

  公开（公告）日：2010-08-03

  This invention relates to compounds useful for treating fungal infections, more specifically topical treatment of onychomycosis and/or cutaneous fungal infections. This invention is directed to compounds that are active against fungi and have properties that allow the compound, when placed in contact with a patient, to reach the particular part of the skin, nail, hair, claw or hoof infected by the fungus. In particular the present compounds have physiochemical properties that facilitate penetration of the nail plate.

  本发明涉及用于治疗真菌感染的化合物，更具体地用于治疗甲真菌病和/或皮肤真菌感染的局部治疗。本发明涉及对真菌活性的化合物，并具有性质，使得当该化合物与患者接触时，能够到达真菌感染的皮肤、指甲、头发、爪或蹄的特定部位。特别是，本发明的化合物具有物理化学性质，有利于穿透指甲板。
• BORON-CONTAINING SMALL MOLECULES
  申请人：Baker Stephen J.

  公开号：US20120289686A1

  公开（公告）日：2012-11-15

  This invention relates to compounds useful for treating fungal infections, more specifically topical treatment of onychomycosis and/or cutaneous fungal infections. This invention is directed to compounds that are active against fungi and have properties that allow the compound, when placed in contact with a patient, to reach the particular part of the skin, nail, hair, claw or hoof infected by the fungus. In particular the present compounds have physiochemical properties that facilitate penetration of the nail plate.

  本发明涉及用于治疗真菌感染的化合物，更具体地用于治疗甲真菌病和/或皮肤真菌感染的局部治疗。本发明涉及对真菌活性的化合物，并具有使化合物在与患者接触时达到受真菌感染的皮肤、指甲、头发、爪或蹄的特定部位的性质。特别是本发明的化合物具有物理化学性质，有利于穿透指甲板。
• PHARMACEUTICAL FORMULATIONS
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：US20130210770A1

  公开（公告）日：2013-08-15

  This invention relates to compounds useful for treating fungal infections, more specifically topical treatment of onychomycosis and/or cutaneous fungal infections. This invention is directed to compounds that are active against fungi and have properties that allow the compound, when placed in contact with a patient, to reach the particular part of the skin, nail, hair, claw or hoof infected by the fungus. In particular the present compounds have physiochemical properties that facilitate penetration of the nail plate.

  本发明涉及用于治疗真菌感染的化合物，更具体地涉及治疗甲真菌病和/或皮肤真菌感染的局部治疗。本发明涉及对真菌活性的化合物，并具有使化合物在与患者接触时能够到达真菌感染的皮肤、指甲、头发、爪或蹄特定部位的性质。特别地，本发明的化合物具有物理化学性质，有助于穿透指甲板。