1,1-dimethylethyl (2S,5R)-2-(aminocarbonyl)-5-(4-hydroxyphenyl)-2-methyl-1-pyrrolidinecarboxylate | 934584-70-0

• 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: 1,1-dimethylethyl (2S,5R)-2-(aminocarbonyl)-5-(4-hydroxyphenyl)-2-methyl-1-pyrrolidinecarboxylate
• 英文别名: tert-butyl (2S,5R)-2-carbamoyl-5-(4-hydroxyphenyl)-2-methylpyrrolidine-1-carboxylate
• CAS: 934584-70-0
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: IDVUUWPEDQFZBT-DYVFJYSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl (2S,5R)-2-(aminocarbonyl)-5-(4-hydroxyphenyl)-2-methyl-1-pyrrolidinecarboxylate 、 2-氟苯腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 1,1-dimethylethyl (2S,5R)-2-(aminocarbonyl)-5-{4-[(2-cyanophenyl)oxy]phenyl}-2-methyl-1-pyrrolidinecarboxylate
  参考文献：
  名称：

  WO2007/42240

  摘要：

  公开号：
• 作为产物：
  描述：

  1,1-Dimethylethyl (2S,5R)-2-(aminocarbonyl)-2-methyl-5-{4-[(phenylmethyl)oxy]phenyl}-1-pyrrolidinecarboxylate 在 钯 氢气 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以to give the title compound as a white solid (D10, 623 mg, 94%)的产率得到1,1-dimethylethyl (2S,5R)-2-(aminocarbonyl)-5-(4-hydroxyphenyl)-2-methyl-1-pyrrolidinecarboxylate
  参考文献：
  名称：

  NOVEL COMPOUNDS

  摘要：

  化合物(I)的配方，其制药组合物，以及使用它们进行治疗的方法。

  公开号：

  US20100324022A1

文献信息

• PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS
  申请人：Alvaro Giuseppe

  公开号：US20090326032A1

  公开（公告）日：2009-12-31

  The present invention relates to pharmaceutical compositions comprising an NK1 receptor antagonist and a sodium channel blocker compound of formula (I) wherein R 1 and R 2 are independently hydrogen, C 1-6 alkyl or C 3-6 cycloalkylC 1-6 alkyl; or R 1 and R 2 , together with the nitrogen to which they are attached, may form an unsubstituted 3-, 4-, 5- or 6-membered saturated ring; R 3 is C 1-6 alkyl, C 1-6 haloalkyl, C 1-3 alkoxyC 1-3 alkyl or C 1-3 haloalkoxyC 1-3 alkyl; or R 1 and R 3 , together with the interconnecting atoms, form a saturated or unsaturated 4- to 6-membered ring; X is carbon or nitrogen; n is 0, 1 or 2, wherein when present each R 4 is independently selected from the list consisting of C 1-3 alkyl, halogen, cyano, haloC 1-3 alkyl, hydroxy, C 1-3 alkoxy and C 1-3 haloalkoxy; q is 1 or 2; either R 5 or R 6 is —O—R 7 or —OCH 2 R 7 , wherein the other R 5 or R 6 is hydrogen or R 4 ; and wherein R 7 is either a phenyl ring or a 5- or 6-membered aromatic heterocyclic ring (independently containing one or more nitrogen, sulphur or oxygen atoms) wherein either the phenyl ring or the heterocyclic ring is optionally substituted by one or more groups independently selected from the list consisting of C 1-3 alkyl, halogen, cyano, haloC 1-3 alkyl, hydroxy, C 1-3 alkoxy and C 1-3 haloalkoxy; or a pharmaceutically acceptable salt or solvate thereof; as a combined preparation for simultaneous or sequential administration, and to the use of such compositions in the treatment of certain disorders, including epilepsy and mood disorders.

  本发明涉及一种含有NK1受体拮抗剂和公式（I）的钠通道阻滞剂化合物的制药组合物，其中R1和R2独立地是氢、C1-6烷基或C3-6环烷基C1-6烷基；或者R1和R2与它们连接的氮一起可以形成未取代的3、4、5或6元饱和环；R3是C1-6烷基、C1-6卤代烷基、C1-3烷氧基C1-3烷基或C1-3卤代烷氧基C1-3烷基；或者R1和R3与连接的原子一起形成一个饱和或不饱和的4-至6元环；X是碳或氮；n为0、1或2，其中当存在时，每个R4是从C1-3烷基、卤素、氰基、卤代C1-3烷基、羟基、C1-3烷氧基和C1-3卤代烷氧基的列表中独立选择的；q为1或2；R5或R6为—O—R7或—OCH2R7，其中另一个R5或R6是氢或R4；其中R7为苯环或5-或6-元芳香杂环环（独立地包含一个或多个氮、硫或氧原子），其中苯环或杂环环可以选择地被一个或多个从C1-3烷基、卤素、氰基、卤代C1-3烷基、羟基、C1-3烷氧基和C1-3卤代烷氧基的列表中独立选择的基团取代；或其药学上可接受的盐或溶剂；作为同时或顺序给药的联合制剂，并且在治疗某些疾病，包括癫痫和情绪障碍中使用这种组合物。
• Novel Compounds
  申请人：Alvaro Giuseppe

  公开号：US20080293753A1

  公开（公告）日：2008-11-27

  The invention relates to quaternary α-aminocarboxyamide derivatives of formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, q and n are as defined in claim 1 , for treating diseases and conditions mediated by modulation of voltage-gated sodium channels.

  本发明涉及公式（I）的四元α-氨基羧酰胺衍生物，其中R1，R2，R3，R4，R5，R6，X，q和n如权利要求1所定义，用于治疗通过调节电压门控钠通道介导的疾病和病况。
• PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1
  申请人：Alvaro Giuseppe

  公开号：US20100105688A1

  公开（公告）日：2010-04-29

  The present invention relates to pharmaceutical compositions comprising an NK1 receptor antagonist and a sodium channel blocker, wherein at least one of them is at subtherapeutic dose, as a combined preparation for simultaneous or sequential administration, and to the use of such compositions in the treatment of certain disorders, including epilepsy, mood disorders and pain.

  本发明涉及一种制药组合物，包括NK1受体拮抗剂和钠通道阻滞剂，其中至少一种剂量为亚治疗剂量，作为同时或顺序给药的联合制剂，并且本发明还涉及在治疗某些疾病，包括癫痫、情绪障碍和疼痛方面使用这种组合物的方法。
• PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-)
  申请人：Alvaro Giuseppe

  公开号：US20100113521A1

  公开（公告）日：2010-05-06

  The present invention relates to pharmaceutical compositions comprising the NK1 receptor antagonist [2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-(2S-phenyl-piperidin-3S-yl)-amine, or a pharmaceutically acceptable salt or solvate thereof, and a sodium channel blocker, as a combined preparation for simultaneous or sequential administration and to the use of such compositions in the treatment of certain disorders, including epilepsy, mood disorders and pain.

  本发明涉及制药组合物，其包括NK1受体拮抗剂[2-甲氧基-5-(5-三氟甲基-四唑-1-基)-苯基]-(2S-苯基-哌啶-3S-基)-胺，或其药学上可接受的盐或溶剂，以及钠通道阻滞剂，作为同时或顺序给药的联合制剂，并且涉及在治疗某些疾病，包括癫痫、情感障碍和疼痛中使用这种组合物的用途。
• Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-)
  申请人：Glaxo Group Limited

  公开号：US08093268B2

  公开（公告）日：2012-01-10

  The present invention relates to pharmaceutical compositions comprising the NK1 receptor antagonist [2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-(2S-phenyl-piperidin-3S-yl)-amine, or a pharmaceutically acceptable salt or solvate thereof, and a sodium channel blocker, as a combined preparation for simultaneous or sequential administration and to the use of such compositions in the treatment of certain disorders, including epilepsy, mood disorders and pain.

  本发明涉及含有NK1受体拮抗剂[2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-(2S-phenyl-piperidin-3S-yl)-amine或其药学上可接受的盐或溶剂，以及钠通道阻滞剂的制药组合物，用于同时或顺序给药，并将这样的组合物用于治疗某些疾病，包括癫痫、情绪障碍和疼痛。