7-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine | 1003023-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶二氮卓类
• 英文名称: 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine
• CAS: 1003023-52-6
• 化学式: C₈H₁₀BrN₃
• 分子量: 228.091
• InChiKey: UITPTWXQEYEZRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：

  7-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepine 、 二碳酸二叔丁酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 7-bromo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepine-4-carboxylic acid tert-butyl ester
  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：

  7-bromo-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one hydrochloride 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 7-bromo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][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。
• Compounds for Treatment of Bovine Mastitis
  申请人：Hafkin Barry

  公开号：US20130281442A1

  公开（公告）日：2013-10-24

  Described herein are methods of treating mastitis in female mammals, e.g., cows, wherein the methods may include administering to mammals in need thereof compounds disclosed herein.

  本文描述了治疗雌性哺乳动物（例如奶牛）乳腺炎的方法，其中该方法可能包括向需要该化合物的哺乳动物施用此处披露的化合物。
• WO2008/9122
  申请人：——

  公开号：——

  公开（公告）日：——
• COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS
  申请人：Affinium Pharmaceuticals, Inc.

  公开号：EP2579863A2

  公开（公告）日：2013-04-17