1-cyanomethyl-5-oxo-pyrrolidine-2-carboxylic acid methyl ester | 1182733-37-4

• 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: 1-cyanomethyl-5-oxo-pyrrolidine-2-carboxylic acid methyl ester
• 英文别名: 1-Cyanomethyl-5-oxo-pyrrolidine-2-carboxylic acid methyl ester；methyl 1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate
• CAS: 1182733-37-4
• 化学式: C₈H₁₀N₂O₃
• 分子量: 182.179
• InChiKey: VERDIOICLWNIJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-cyanomethyl-5-oxo-pyrrolidine-2-carboxylic acid methyl ester 在 二氧化铂 异丙醇 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以to afford the title compound as a white powder (580 mg, 62% yield)的产率得到Tetrahydro-pyrrolo[1,2-a]pyrazine-1,6-dione
  参考文献：
  名称：

  Substituted pyrrolo[1,2-A] pyrazines, compositions containing these, processes of making these, and uses thereof

  摘要：

  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。

  公开号：

  US08334286B2
• 作为产物：
  描述：

  5-氧代吡咯烷-2-羧酸乙酯 、 溴乙腈 在 sodium hydride 作用下， 以 乙腈 、 mineral oil 为溶剂， 反应 0.5h， 以29%的产率得到1-cyanomethyl-5-oxo-pyrrolidine-2-carboxylic acid methyl ester
  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

• [EN] NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II<br/>[FR] NOUVEAUX COMPOSÉS II ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE 1
  申请人：LEO PHARMA AS

  公开号：WO2015024203A1

  公开（公告）日：2015-02-26

  The invention relates novel NK1 Receptor antagonists represented in formula (A), wherein R1 and R2 independently are selected from the group consisting of (C1-4)alkyl, (C1-4)haloalkyl, (C1-4) alkoxy, CD3 or halogen; R3 is selected from the group consisting of hydrogen, (C1-4)alkyl, (C1-4)haloalkyl and (C1-4)hydroxyalkyl; R4 is selected from the group consisting of phenyl, 5-membered heteroaryl and 6-membered heteroaryl; R5 and R6 are independently selected from the group consisting of hydrogen, (C1-4)alkyl, (C1-4)hydroxyalkyl and (C1-4)haloalkyl and X and Y are independently selected from the group consisting of CH and N. The invention furthermore relates to intermediates for the preparation of said compounds, to their use in therapy, and to pharmaceutical compositions comprising said compounds.

  该发明涉及在式（A）中表示的新型NK1受体拮抗剂，其中R1和R2独立地选自（C1-4）烷基，（C1-4）卤代烷基，（C1-4）氧烷基，CD3或卤素的群组; R3选自氢，（C1-4）烷基，（C1-4）卤代烷基和（C1-4）羟基烷基的群组; R4选自苯基，5-成员杂环芳基和6-成员杂环芳基的群组; R5和R6独立地选自氢，（C1-4）烷基，（C1-4）羟基烷基和（C1-4）卤代烷基的群组，X和Y独立地选自CH和N的群组。该发明还涉及制备所述化合物的中间体，它们在治疗中的使用，以及包含所述化合物的药物组合物。
• [EN] NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II<br/>[FR] NOUVEAUX COMPOSÉS ANTAGONISTES II DU RÉCEPTEUR DE LA NEUROKININE 1
  申请人：LEO PHARMA AS

  公开号：WO2015024878A1

  公开（公告）日：2015-02-26

  The invention relates novel NK1 receptor antagonists represented in formula A, wherein R1 and R2 independently are selected from the group consisting of (C1-4)alkyl, (C1-4)haloalkyl, (C1-4)alkoxy, CD3 or halogen; R3 is selected from the group consisting of hydrogen, (C1-4)alkyl, (C1-4)haloalkyl and (C1-4)hydroxyalkyl; R4 is selected from the group consisting of phenyl, 5-membered heteroaryl and 6-membered heteroaryl; R5 and R6 are independently selected from the group consisting of hydrogen, (C1-4)alkyl, (C1-4)hydroxyalkyl and (C1-4)haloalkyl and X and Y are independently selected from the group consisting of CH and N. The invention furthermore relates to intermediates for the preparation of said compounds, to their use in therapy, and to pharmaceutical compositions comprising said compounds.

  该发明涉及一种新颖的NK1受体拮抗剂，其表示为公式A，其中R1和R2分别选自由(C1-4)烷基、(C1-4)卤代烷基、(C1-4)烷氧基、CD3或卤素组成的群体；R3选自由氢、(C1-4)烷基、(C1-4)卤代烷基和(C1-4)羟基烷基组成的群体；R4选自由苯基、5-成员杂环芳基和6-成员杂环芳基组成的群体；R5和R6独立选自由氢、(C1-4)烷基、(C1-4)羟基烷基和(C1-4)卤代烷基；X和Y独立选自由CH和N组成的群体。该发明还涉及用于制备所述化合物的中间体，其在治疗中的应用，以及包含所述化合物的药物组合物。
• NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II
  申请人：LEO PHARMA A/S

  公开号：US20160207930A1

  公开（公告）日：2016-07-21

  The invention relates novel NK1 receptor antagonists represented in formula A, wherein R 1 and R 2 independently are selected from the group consisting of (C 1-4 )alkyl, (C 1-4 )haloalkyl, (C 1-4 )alkoxy, CD 3 or halogen; R 3 is selected from the group consisting of hydrogen, (C 1-4 )alkyl, (C 1-4 )haloalkyl and (C 1-4 )hydroxyalkyl; R 4 is selected from the group consisting of phenyl, 5-membered heteroaryl and 6-membered heteroaryl; R 5 and R 6 are independently selected from the group consisting of hydrogen, (C 1-4 )alkyl, (C 1-4 ) hydroxyalkyl and (C 1-4 )haloalkyl and X and Y are independently selected from the group consisting of CH and N. The invention furthermore relates to intermediates for the preparation of said compounds, to their use in therapy, and to pharmaceutical compositions comprising said compounds.

  本发明涉及一种新型的NK1受体拮抗剂，其表示为式A，其中R1和R2独立地选自（C1-4）烷基，（C1-4）卤代烷基，（C1-4）烷氧基，CD3或卤素的组成的群；R3选自氢，（C1-4）烷基，（C1-4）卤代烷基和（C1-4）羟基烷基的组成的群；R4选自苯基，5-成员杂环芳基和6-成员杂环芳基的组成的群；R5和R6独立地选自氢，（C1-4）烷基，（C1-4）羟基烷基和（C1-4）卤代烷基的组成的群，X和Y独立地选自CH和N的组成的群。本发明还涉及制备所述化合物的中间体，其在治疗中的应用以及包含所述化合物的制药组合物。
• 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