(E)-3-(2-methylene-1,2,3,4-tetrahydroquinolin-6-yl)acrylic acid hydrochloride | 894853-00-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(2-methylene-1,2,3,4-tetrahydroquinolin-6-yl)acrylic acid hydrochloride
• 英文别名: (E)-3-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)prop-2-enoic acid;hydrochloride
• CAS: 894853-00-0
• 化学式: C₁₃H₁₃NO₂*ClH
• 分子量: 251.713
• InChiKey: BPRDDHWQNJMACA-KQGICBIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  49.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1,3-dimethyl-1H-indol-2-yl)-N-methylmethanamine 、 (E)-3-(2-methylene-1,2,3,4-tetrahydroquinolin-6-yl)acrylic acid hydrochloride 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到(E)-N-((1,3-dimethyl-1H-indol-1-yl)methyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-napthyridin-3-yl)acrylamide
  参考文献：
  名称：

  WO2007/67416

  摘要：

  公开号：

文献信息

• Compositions comprising multiple bioactive agents, and methods of using the same
  申请人：Berman M. Judd

  公开号：US20060142265A1

  公开（公告）日：2006-06-29

  In part, the present invention is directed to compositions comprising a FabI inhibitor and at least one other bioactive agent. In another part, the present invention is directed to antibacterial compositions comprising a compound of formulas I-III and at least one other antibacterial agent.

  本发明的一部分涉及含有FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分，本发明涉及含有I-III式化合物和至少一种其他抗菌剂的抗菌组合物。
• Therapeutic agents, and methods of making and using the same
  申请人：Sargent Bruce J.

  公开号：US20100093705A1

  公开（公告）日：2010-04-15

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

  部分地，本发明是针对抗菌化合物的。
• Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same
  申请人：BERMAN JUDD M.

  公开号：US20120010127A1

  公开（公告）日：2012-01-12

  In part, the present invention is directed to compositions comprising a FabI inhibitor and at least one other bioactive agent. In another part, the present invention is directed to antibacterial compositions comprising a compound of formulas I-III and at least one other antibacterial agent.

  本发明的一部分涉及包含FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分涉及包含I-III式化合物和至少一种其他抗菌剂的抗菌组合物。
• THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME
  申请人：Affinium Pharmaceuticals, Inc.

  公开号：US20140107106A1

  公开（公告）日：2014-04-17

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

  部分地，本发明涉及抗菌化合物。
• 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents
  申请人：Pauls Henry

  公开号：US20090156578A1

  公开（公告）日：2009-06-18

  In part, the present invention is directed towards compounds with FabI inhibiting properties. Such compounds may also inhibit other enzymes, including those similar to FabI either structurally or functionally, for example, Fab K. Kits and compositions that include the disclosed compounds are also provided. Methods of treating a subject with a bacterial illness is also disclosed.

  本发明的部分涉及具有FabI抑制性质的化合物。这些化合物也可能抑制其他酶，包括那些在结构或功能上类似于FabI的酶，例如Fab K。还提供了包括所述化合物的试剂盒和组合物。还揭示了治疗细菌性疾病患者的方法。