8-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine | 1003024-06-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 8-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
• CAS: 1003024-06-3
• 化学式: C₈H₁₀BrN₃
• 分子量: 228.091
• InChiKey: UDWZKTIBNXMQTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  37
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide 、 8-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
  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：

  8-bromo-1,2,3,5-tetrahydro-4H-pyrido[2,3-b][1,4]diazepin-4-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 8-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
  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。
• Acrylamide derivatives as Fab I inhibitors
  申请人：Affinium Pharmaceuticals, Inc.

  公开号：US08318720B2

  公开（公告）日：2012-11-27

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

  部分地，本发明涉及抗菌化合物。
• 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