(E)-3-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)acrylic acid | 894852-57-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-3-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)acrylic acid
• 英文别名: (E)-3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid
• CAS: 894852-57-4
• 化学式: C₁₂H₁₂N₂O₄
• 分子量: 248.238
• InChiKey: BOPMWOZEMIDQAP-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-methyl-[1-(3-ethyl-benzofuran-2-yl)-ethyl]amine 、 (E)-3-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)acrylic acid 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， 反应 60.0h， 以20%的产率得到(R,E)-3-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-(1-(3-ethylbenzofuran-2-yl)ethyl)-N-methylacrylamide
  参考文献：
  名称：

  WO2007/67416

  摘要：

  公开号：

文献信息

• [EN] ALKYLIDINE SUBSTITUTED HETEROCYCLYL DERIVATIVES AS ANTI-BACTERIAL AGENTS<br/>[FR] DÉRIVÉS D'HÉTÉROCYCLYL SUBSTITUÉS PAR ALKYLIDINE COMME AGENTS ANTIBACTÉRIENS
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015071780A1

  公开（公告）日：2015-05-21

  The present invention relates to alkylidine substituted heterocyclyl derivatives of formula (1) which may be therapeutically useful as as anti-bacterial agents, more particulalrly FabI inhibitors; I in which P, Q, Ri, R2, R3 and "n" have the same meanings given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention in diseases or disorder, in particular their use in diseases or disorder where there is an advantage in inhibiting Enoyl-ACP reductase enzyme (FABI) activity. The present invention also provides methods for synthesizing and administering the FabI inhibitory compounds. The present invention also provides pharmaceutical formulations comprising at least one of the FabI inhibitory compounds together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明涉及公式（1）的烷基亚甲基取代的杂环衍生物，其可能作为抗菌剂在治疗上有用，更具体地是FabI抑制剂;其中P，Q，Ri，R2，R3和“n”具有规范中给出的相同含义，并且其药学上可接受的盐或药学上可接受的立体异构体在疾病或紊乱的治疗和预防中有用，特别是在抑制乙酰辅酶A还原酶酶（FABI）活性方面具有优势的疾病或紊乱的使用。本发明还提供合成和给予FabI抑制剂化合物的方法。本发明还提供包含至少一种FabI抑制剂化合物的药物制剂，以及其药学上可接受的载体，稀释剂或赋形剂。
• 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。