(R)-(+)-2-benzylhexahydropyrrolo[1,2-a]pyrazin-6(7H)-one | 865717-09-5

• 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: (R)-(+)-2-benzylhexahydropyrrolo[1,2-a]pyrazin-6(7H)-one
• 英文别名: (8aR)-2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• CAS: 865717-09-5
• 化学式: C₁₄H₁₈N₂O
• 分子量: 230.31
• InChiKey: UFYDCFOCUPIKCR-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-(+)-2-benzylhexahydropyrrolo[1,2-a]pyrazin-6(7H)-one 在 palladium 10% on activated carbon 甲酸铵 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以90%的产率得到(R)-六氢吡咯并[1,2-a]吡嗪-6(2H)-酮
  参考文献：
  名称：

  Nitrogen-containing bicyclic compounds active on chronic pain conditions

  摘要：

  公开号：

  EP2098526B1
• 作为产物：
  描述：

  methanesulfonic acid 2-[benzyl-((R)-5-oxo-pyrrolidin-2-ylmethyl)-amino]-ethyl ester 在 sodium hydride 、 水 作用下， 以 乙腈 、 mineral oil 为溶剂， 反应 4.0h， 以85%的产率得到(R)-(+)-2-benzylhexahydropyrrolo[1,2-a]pyrazin-6(7H)-one
  参考文献：
  名称：

  Nitrogen-containing bicyclic compounds active on chronic pain conditions

  摘要：

  公开号：

  EP2098526B1

文献信息

• Substituted pyrrolo[1,2-A] pyrazines, compositions containing these, processes of making these, and uses thereof
  申请人：Neurotune AG

  公开号：US08334286B2

  公开（公告）日：2012-12-18

  The invention refers to compounds of general formula (I) wherein the R groups are, independently, H, C1-6alkyl, aryl, CF3; Y is CH2, C═O; X is bond, C═O, SO2, or C═N—CN; m is 0, 1; n is 0, 1; A is a heterocycle, or a phenyl group optionally substituted as defined in the specification. The compounds are active on chronic pain conditions of different origin; they can be administered alone or with other drugs. Most of these compounds are new. The invention include a process to prepare said compounds, and pharmaceutical compositions suitable for their administration to a patient.

  本发明涉及一般式（I）的化合物，其中R基团是独立的H，C1-6烷基，芳基，CF3; Y是CH2，C═O; X是键，C═O，SO2或C═N—CN; m为0，1; n为0，1; A是杂环或苯基，可选地在规范中定义的取代基。这些化合物对不同来源的慢性疼痛病症具有活性；它们可以单独或与其他药物一起使用。大多数这些化合物都是新的。本发明包括制备所述化合物的方法，以及适合于向患者施用的制药组合物。
• NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS
  申请人：Ghelardini Carla

  公开号：US20110015200A1

  公开（公告）日：2011-01-20

  The invention refers to compounds of general formula (I) wherein the R groups are, independently, H, C 1-6 alkyl, aryl, CF 3 ; Y is CH 2 , C═O; X is bond, C═O, SO 2 , or C═N—CN; m is 0, 1; n is 0, 1; A is a heterocycle, or a phenyl group optionally substituted as defined in the specification. The compounds are active on chronic pain conditions of different origin; they can be administered alone or with other drugs. Most of these compounds are new. The invention include a process to prepare said compounds, and pharmaceutical compositions suitable for their administration to a patient.

  该发明涉及一般式（I）的化合物，其中R基独立地为H，C1-6烷基，芳基，CF3；Y为CH2，C═O；X为键，C═O，SO2或C═N—CN；m为0，1；n为0，1；A为杂环或苯基，可选地取代如说明书所定义。这些化合物对不同起源的慢性疼痛症状具有活性，它们可以单独或与其他药物一起使用。其中大多数化合物都是新的。该发明包括一种制备上述化合物的方法以及适用于其向患者的管理的制药组合物。
• US8334286B2
  申请人：——

  公开号：US8334286B2

  公开（公告）日：2012-12-18
• [EN] NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS<br/>[FR] COMPOSÉS BICYCLIQUES CONTENANT DE L'AZOTE AGISSANT SUR LES ÉTATS DE DOULEUR CHRONIQUE
  申请人：NEUROTUNE AG

  公开号：WO2009103176A1

  公开（公告）日：2009-08-27

  The invention refers to compounds of general formula (I) wherein the R groups are, independently, H, C1-6alkyl, aryl, CF3; Y is CH2, C=O; X is bond, C=O, SO2, or C=N-CN; m is 0, 1; n is 0, 1; A is a heterocycle, or a phenyl group optionally substituted as defined in the specification. The compounds are active on chronic pain conditions of different origin; they can be administered alone or with other drugs. Most of these compounds are new. The invention include a process to prepare said compounds, and pharmaceutical compositions suitable for their administration to a patient.
• [EN] PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF<br/>[FR] DÉRIVÉ DE PHTALAZINONE, SON PROCÉDÉ DE PRÉPARATION ET UTILISATION PHARMACEUTIQUE
  申请人：SHANGHAI HENGRUI PHARM CO LTD

  公开号：WO2012019426A1

  公开（公告）日：2012-02-16

  The present invention relates to a phthalazinone derivative, and a preparation method and a pharmaceutical use thereof, and specifically the present invention relates to a new phthalazinone derivative represented by a general formula (I), a preparation method, a pharmaceutical composition containing the derivative, and a use thereof as a therapeutic agent and especially a poly (ADP-ribose) polymerase (PARP) inhibitor.