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-phosphahept-1-yl benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 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-phosphahept-1-yl benzoate
• 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-7-phenyl-2,4,6-trioxa-3-phosphahept-1-yl benzoate；[benzoyloxymethoxy-[2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]phosphoryl]oxymethyl benzoate
• 化学式: C₂₅H₂₅N₂O₉P
• 分子量: 528.455
• InChiKey: FBWMBPJYJJNSMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  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-phosphahept-1-yl benzoate 在 Sodium tetraborate decahydrate 、 硼酸 、 sodium chloride 作用下， 以 水 为溶剂， 反应 10.0h， 生成 benzoic acid {[2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]hydroxyphosphinoyloxy}methyl ester
  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
• 作为产物：
  描述：

  苯甲酸氯甲基 、 [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 36.5h， 以99%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-phosphahept-1-yl benzoate
  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

• [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<br/>[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)
  申请人：WYETH CORP

  公开号：WO2004092189A1

  公开（公告）日：2004-10-28

  Compounds of formula (I) or pharmaceutically acceptable salts thereof are provided where at least one of R2 or R3 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。
• 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。
• 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。
• Oral administration of [2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)alkyl] phosphonic acid and derivatives
  申请人：Benjamin J. Eric

  公开号：US20050142192A1

  公开（公告）日：2005-06-30

  Solid, pharmaceutical dosage forms of [2-(8,9-dioxo-2,6-diazabicyclo [5.2.0]non-1(7)-en-2-yl)alkyl]phosphonic acid and derivatives thereof are disclosed. In addition, methods of use are disclosed for the treatment, inter alia, of cerebral vascular disorders, anxiety disorders; mood disorders; schizophrenia; schizophreniform disorder; schizoaffective disorder; cognitive impairment; chronic neurodegenerative disorders; inflammatory diseases; fibromyalgia; complications from herpes zoster; prevention of tolerance to opiate analgesia; withdrawal symptoms from addictive drugs; and pain.

  公开了[2-(8,9-二氧代-2,6-二氮杂双环[5.2.0]壬-1(7)-烯-2-基)烷基]膦酸及其衍生物的固体药物剂型。此外，还公开了其使用方法，特别是用于治疗脑血管疾病、焦虑症、情绪障碍、精神分裂症、精神分裂症样障碍、精神分裂情感障碍、认知障碍、慢性神经退行性疾病、炎症性疾病、纤维肌痛、带状疱疹并发症、预防对阿片类镇痛剂的耐受性、成瘾药物的戒断症状和疼痛。
• 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