3-{2-[8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl]ethyl}-3-oxido-7-oxo-7-phenyl-2,4,6-trioxa-3-phosphaundecen-1-yl 2-propypentanoate

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-{2-[8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl]ethyl}-3-oxido-7-oxo-7-phenyl-2,4,6-trioxa-3-phosphaundecen-1-yl 2-propypentanoate
• 英文别名: 3-{2-[8,9-Dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl]ethyl}-3-oxido-7-oxo-8-propyl-2,4,6-trioxa-3-phosphaundec-1-yl 2-propylpentanoate；[2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl-(2-propylpentanoyloxymethoxy)phosphoryl]oxymethyl 2-propylpentanoate
• 化学式: C₂₇H₄₅N₂O₉P
• 分子量: 572.636
• InChiKey: YTUZXKGIRNGIGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  chloromethyl 2-propylpentanoate 、 [2-(8,9-Dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]-phosphonic Acid 在 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 16.0h， 以56%的产率得到3-{2-[8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl]ethyl}-3-oxido-7-oxo-7-phenyl-2,4,6-trioxa-3-phosphaundecen-1-yl 2-propypentanoate
  参考文献：
  名称：

  [EN] DERIVATIVES OF 2-(8,9-DIOXO-2,6-DIAZABICYCLO(5.2.0)NON-1(7)-EN-2-YL)ALKYL PHOSPHONIC ACID AND THEIR USE AS N-METHYL-D-ASPARTATE (NMDA) RECETOR ANTAGONISTS
  [FR] DERIVES D'ACIDE 2-(8,9-DIOXO-2,6-DIAZABICYCLO(5.2.0)NON-1(7)-EN-2-YL)ALKYL PHOSPHONIQUE ET LEUR UTILISATION COMME ANTAGONISTES DU RECEPTEUR N-METHYL-D-ASPARTATE (NMDA)

  摘要：

  提供了式（I）的化合物或其药用可接受的盐，其中R2或R3中至少有一个不是氢。本发明的化合物是N-甲基-D-天冬氨酸（NMDA）受体拮抗剂，对治疗受益于抑制NMDA受体的哺乳动物中存在的各种疾病是有用的。

  公开号：

  WO2004092189A1

文献信息

• Derivatives of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl] phosphonic acid and methods of use thereof
  申请人：Baudy B. Reinhardt

  公开号：US20050004080A1

  公开（公告）日：2005-01-06

  Compounds of formula (I) or pharmaceutically acceptable salts thereof are provided where at least one of R 2 or R 3 is not hydrogen. The compounds of the present invention are N-methyl-D-aspartate (NMDA) receptor antagonists and are useful in treating a variety of conditions present in a mammal that benefit from inhibiting the NMDA receptor.

  本发明提供化学式(I)的化合物或其药学上可接受的盐，其中R2或R3中至少有一个不是氢。本发明的化合物是N-甲基-D-天门冬氨酸（NMDA）受体拮抗剂，可用于治疗哺乳动物中存在的多种病症，这些病症受到抑制NMDA受体的益处。
• Pharmaceutical compositions for intranasal administration of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl] phosphonic acid and derivatives and methods of use thereof
  申请人：Benjamin J. Eric

  公开号：US20050004079A1

  公开（公告）日：2005-01-06

  Pharmaceutical compositions for intranasal administration are provided that contain at least one compound of formula (I) or a pharmaceutically acceptable salt thereof: and one or more pharmaceutically acceptable additives for forming a composition for intranasal administration. Also provided are methods of treating one or more conditions in a mammal associated with a glutamate abnormality that includes administering intranasally to a mammal a therapeutically effective amount of a compound of formula (I) or a pharmaceutically acceptable salt thereof.

  提供了用于鼻内给药的药物组合物，其中包含至少一种式(I)化合物或其药学上可接受的盐：以及一种或多种药学上可接受的添加剂，用于形成用于鼻内给药的组合物。还提供了一种治疗与谷氨酸异常有关的哺乳动物的一种或多种疾病或症状的方法，包括鼻内给哺乳动物以式(I)化合物或其药学上可接受的盐的治疗有效量。
• Derivatives of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl] Phosphonic Acid and Methods of Use Thereof
  申请人：Baudy B. Reinhardt

  公开号：US20070225257A1

  公开（公告）日：2007-09-27

  Compounds of formula (I) or pharmaceutically acceptable salts thereof are provided where at least one of R 2 or R 3 is not hydrogen. The compounds of the present invention are N-methyl-D-aspartate (NMDA) receptor antagonists and are useful in treating a variety of conditions present in a mammal that benefit from inhibiting the NMDA receptor.

  提供式(I)的化合物或其药学上可接受的盐，其中至少有一个R2或R3不是氢。本发明的化合物是N-甲基-D-天门冬氨酸（NMDA）受体拮抗剂，可用于治疗哺乳动物中存在的多种需要抑制NMDA受体的疾病。
• DERIVATIVES OF 2-(8,9-DIOXO-2,6-DIAZABICYCLO(5.2.0)NON-1(7)-EN-2-YL)ALKYL PHOSPHONIC ACID AND THEIR USE AS N-METHYL-D-ASPARTATE (NMDA) RECETOR ANTAGONISTS
  申请人：Wyeth LLC

  公开号：EP1611144B1

  公开（公告）日：2010-09-15
• EP1611144A1
  申请人：——

  公开号：EP1611144A1

  公开（公告）日：2006-01-04