2,3,5,6-tetrahydropyrido[2,3-b][1,5]diazocin-4(1H)-one | 1003024-07-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,3,5,6-tetrahydropyrido[2,3-b][1,5]diazocin-4(1H)-one
• 英文别名: 2,3,5,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocin-4-one
• CAS: 1003024-07-4
• 化学式: C₉H₁₁N₃O
• 分子量: 177.206
• InChiKey: OQRMFSAAELFLIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,5,6-tetrahydropyrido[2,3-b][1,5]diazocin-4(1H)-one 在 溴 作用下， 生成 8-bromo-2,3,5,6-tetrahydropyrido[2,3-b][1,5]diazocin-4(1H)-one hydrobromide
  参考文献：
  名称：

  2,3,4,5-Tetrahydro-1H-pyrido[2,3-b and e][1,4]diazepines as inhibitors of the bacterial enoyl ACP reductase, FabI

  摘要：

  In the search for new antibacterial agents, the enzyme FabI has been identified as an attractive target. Employing a structure guided approach, the previously reported ene-amide series of FabI inhibitors were expanded to include 2,3,4,5-tetrahydro-1H-pyrido[2,3-b and e][1,4]diazepines. These novel series incorporate additional H-bonding functions and can be more water soluble than their naphthyridinone progenitors; diazepine 16c is shown to be efficacious in a mouse infection model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.094
• 作为产物：
  描述：

  2-(2-oxoazetidin-1-yl)nicotinonitrile 在 1% Pd/C 、 氢气 、 溶剂黄146 作用下， 生成 2,3,5,6-tetrahydropyrido[2,3-b][1,5]diazocin-4(1H)-one
  参考文献：
  名称：

  2,3,4,5-Tetrahydro-1H-pyrido[2,3-b and e][1,4]diazepines as inhibitors of the bacterial enoyl ACP reductase, FabI

  摘要：

  In the search for new antibacterial agents, the enzyme FabI has been identified as an attractive target. Employing a structure guided approach, the previously reported ene-amide series of FabI inhibitors were expanded to include 2,3,4,5-tetrahydro-1H-pyrido[2,3-b and e][1,4]diazepines. These novel series incorporate additional H-bonding functions and can be more water soluble than their naphthyridinone progenitors; diazepine 16c is shown to be efficacious in a mouse infection model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.094

文献信息

• ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS
  申请人：Pauls Heinz W.

  公开号：US20100130470A1

  公开（公告）日：2010-05-27

  In part, the present invention is directed to antibacterial compounds.

  部分地，本发明旨在提供抗菌化合物。
• [1,5]-Diazocin Derivatives
  申请人：Roche Didier

  公开号：US20120225892A1

  公开（公告）日：2012-09-06

  The present invention relates to compounds of formula (I) compositions, in particular pharmaceutical compositions, and medicaments comprising at least one compound of formula (I). The invention also relates to the use of such a compound for manufacturing a medicament. In particular the medicament and the pharmaceutical composition are intended to treat diseases linked with insulin regulation problems, such as diabetes. This invention aims also to methods for treating or preventing such diseases.

  本发明涉及公式（I）化合物组合物，特别是制药组合物和包含至少一种公式（I）化合物的药物。本发明还涉及使用这种化合物制造药物。特别是药物和制药组合物旨在治疗与胰岛素调节问题相关的疾病，如糖尿病。本发明还旨在提供治疗或预防这些疾病的方法。
• WO2008/9122
  申请人：——

  公开号：——

  公开（公告）日：——
• Acrylamide derivatives as FAB I inhibitors
  申请人：Debiopharm International SA

  公开号：EP2687533B1

  公开（公告）日：2017-07-19
• US8318720B2
  申请人：——

  公开号：US8318720B2

  公开（公告）日：2012-11-27