2,3,4,5-tetrahydro-1H-benzofuro[2,3-c]azepine | 40728-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2,3,4,5-tetrahydro-1H-benzofuro[2,3-c]azepine
• 英文别名: 7,8,9,10-Tetrahydro-6H-benzofuro<2,3-c>azepin；2,3,4,5-tetrahydro-1H-benzo[4,5]furo[2,3-c]azepine；2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c]azepine
• CAS: 40728-47-0
• 化学式: C₁₂H₁₃NO
• 分子量: 187.241
• InChiKey: SQUGIGPCYBNQKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-Oxo-7,8,9,10-tetrahydro-6H-benzofuro<2,3-c>azepin 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 2,3,4,5-tetrahydro-1H-benzofuro[2,3-c]azepine
  参考文献：
  名称：

  Royer,R. et al., Bulletin de la Societe Chimique de France, 1973, p. 793 - 799

  摘要：

  DOI：

文献信息

• [EN] ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS<br/>[FR] ANTIBIOTIQUES EFFICACES CONTRE LES PATHOGÈNES GRAM-NÉGATIFS
  申请人：UNIV ILLINOIS

  公开号：WO2019177975A1

  公开（公告）日：2019-09-19

  Disclosed herein are antibacterial compounds that accumulate in Gram-negative bacteria, methods of preparing the compounds, and methods of using the compounds to inhibit or kill microbes, and methods of treating microbial infections, such as Gram-negative bacterial infections. Compounds selected for conversion to potential Gram-negative antibacterial compounds were identified based on compounds having low globularity and low flexibility. Amine substituents were then strategically added to the selected compounds to provide compounds having antibacterial activity against Gram-negative bacteria.

  本文披露了在革兰氏阴性细菌中积累的抗菌化合物，制备这些化合物的方法，以及利用这些化合物抑制或杀灭微生物，以及治疗微生物感染的方法，如革兰氏阴性细菌感染。选择用于转化为潜在革兰氏阴性抗菌化合物的化合物是基于具有低球形度和低柔性的化合物。然后在所选的化合物中策略性地添加氨基取代基，以提供对革兰氏阴性细菌具有抗菌活性的化合物。
• ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20210017165A1

  公开（公告）日：2021-01-21

  Disclosed herein are antibacterial compounds that accumulate in Gram-negative bacteria, methods of preparing the compounds, and methods of using the compounds to inhibit or kill microbes, and methods of treating microbial infections, such as Gram-negative bacterial infections. Compounds selected for conversion to potential Gram-negative antibacterial compounds were identified based on compounds having low globularity and low flexibility. Amine substituents were then strategically added to the selected compounds to provide compounds having antibacterial activity against Gram-negative bacteria.
• [EN] PROTEIN KINASE D INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉINE KINASE D
  申请人：UNIV PITTSBURGH

  公开号：WO2012078859A2

  公开（公告）日：2012-06-14

  Compounds according to Formula (I), are potent inhibitors of protein kinase D (pan-PKD) activity. PKD controls key signaling cascades in cells, affecting cell proliferation, gene transcription, and protein trafficking. Accordingly, pharmaceutically acceptable compositions of the inventive compounds are candidate therapeutics for pathological conditions conditioned by changes in PKD activity.