trans phenylmethyl 7-oxo-6-(2-propenyloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

• 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: trans phenylmethyl 7-oxo-6-(2-propenyloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
• 英文别名: (2S,5R)-benzyl 6-(allyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate；Benzyl 7-oxo-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
• 化学式: C₁₇H₂₀N₂O₄
• 分子量: 316.357
• InChiKey: IWVVDDSHWGXMQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯磺酰氯 、 trans phenylmethyl 7-oxo-6-(2-propenyloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate 在 四(三苯基膦)钯 溶剂黄146 、 吡啶 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 3.25h， 以31%的产率得到trans phenylmethyl 7-oxo-6-[(phenylsulphonyl)oxy]-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
  参考文献：
  名称：

  Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents

  摘要：

  该发明涉及一般式（I）的新杂环化合物及其与碱或酸形成的盐：该发明还涉及制备这些化合物的方法以及它们作为药物的用途，特别是作为抗菌剂。

  公开号：

  US20030199541A1
• 作为产物：
  描述：

  氯甲酸三氯甲酯 、 phenylmethyl trans-5-[(2-propenyloxy)amino]-2-piperidinecarboxylate 在 三乙胺 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 5.25h， 以43%的产率得到trans phenylmethyl 7-oxo-6-(2-propenyloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
  参考文献：
  名称：

  Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents

  摘要：

  该发明涉及一般式（I）的新杂环化合物及其与碱或酸形成的盐：该发明还涉及制备这些化合物的方法以及它们作为药物的用途，特别是作为抗菌剂。

  公开号：

  US20030199541A1

文献信息

• Heterocyclic compounds as inhibitors of beta-lactamases
  申请人：Aszodi Jozsef

  公开号：US20050020572A1

  公开（公告）日：2005-01-27

  This invention discloses and claims methods for inhibiting bacterial β-lactamases and treating bacterial infections by inhibiting bacterial β-lactamases in man or an animal comprising administering a therapeutically effective amount to said man or said animal of a compound, or pharmaceutically acceptable salt thereof, of formula (I) either alone or in combination with a β-lactamine antibiotic wherein said combination can be administered separately, together or spaced out over time. Pharmaceutical compositions comprising a compound of formula (I), or a combination of a compound of formula (I) and a therapeutically effective amount of a β-lactamine antibiotic, and a pharmaceutically acceptable carrier are also disclosed and claimed.

  本发明揭示和声称通过在人或动物中抑制细菌β-内酰胺酶来抑制细菌β-内酰胺酶并治疗细菌感染的方法，包括向所述人或所述动物投予化合物的治疗有效量或其药学上可接受的盐，其化学式为(I)，可以单独使用或与β-内酰胺抗生素结合使用，其中该组合可以分别、一起或在时间上间隔投予。还揭示和声称含有化合物的药物组合物的药物组合物(I)的药物组合物，或化合物(I)的组合物和β-内酰胺抗生素的治疗有效量，以及药学上可接受的载体。
• New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents
  申请人：Lampilas Maxime

  公开号：US20060189652A1

  公开（公告）日：2006-08-24

  The invention relates to new heterocyclic compounds of general formula (I), and their salts with a base or an acid: The invention also relates to a process for the preparation of these compounds as well as their use as medicaments, in particular as anti-bacterial agents.

  该发明涉及一种新的杂环化合物，其一般式为(I)，以及它们与碱或酸的盐：该发明还涉及一种制备这些化合物的方法，以及它们作为药物的用途，特别是作为抗菌剂。
• Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents
  申请人：Lampilas Maxime

  公开号：US20060046995A1

  公开（公告）日：2006-03-02

  The invention relates to new heterocyclic compounds of general formula (I), and their salts with a base or an acid: The invention also relates to a process for the preparation of these compounds as well as their use as medicaments, in particular as anti-bacterial agents.

  本发明涉及一种通式（I）的新的杂环化合物及其与碱或酸的盐：本发明还涉及制备这些化合物的方法以及它们作为药物的用途，特别是作为抗菌剂。
• HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES
  申请人：Aszodi Jozsef

  公开号：US20100048528A1

  公开（公告）日：2010-02-25

  This invention discloses and claims methods for inhibiting bacterial β-lactamases and treating bacterial infections by inhibiting bacterial β-lactamases in man or an animal comprising administering a therapeutically effective amount to said man or said animal of a compound, or pharmaceutically acceptable salt thereof, of formula (I) either alone or in combination with a β-lactamine antibiotic wherein said combination can be administered separately, together or spaced out over time. Pharmaceutical compositions comprising a compound of formula (I), or a combination of a compound of formula (I) and a therapeutically effective amount of a β-lactamine antibiotic, and a pharmaceutically acceptable carrier are also disclosed and claimed.

  本发明公开并声明了一种抑制细菌β-内酰胺酶并通过抑制细菌β-内酰胺酶治疗人或动物细菌感染的方法，包括向该人或该动物施用公式（I）的化合物或其药学上可接受的盐的治疗有效量，该化合物可以单独或与β-内酰胺类抗生素的组合一起或隔一段时间施用。还公开并声明了包括公式（I）的化合物或公式（I）的化合物与治疗有效量的β-内酰胺类抗生素的组合，并且药学上可接受的载体的制药组合物。
• US7112592B2
  申请人：——

  公开号：US7112592B2

  公开（公告）日：2006-09-26