4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid 1-(1-dimethylethyl)-5-ethyl ester

• 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: 4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid 1-(1-dimethylethyl)-5-ethyl ester
• 英文别名: 1-tert-butyl 2-ethyl 2,3-dihydro-1H-pyrrole-1,2-dicarboxylate；1-O-tert-butyl 2-O-ethyl 2,3-dihydropyrrole-1,2-dicarboxylate
• 化学式: C₁₂H₁₉NO₄
• 分子量: 241.287
• InChiKey: AZVLZXHTXUIWRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid 1-(1-dimethylethyl)-5-ethyl ester 、 氯碘甲烷 在 diethylzinc 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 BOC-4,5-methanoproline ethyl ester
  参考文献：
  名称：

  [EN] METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF
  [FR] PROCEDES ET COMPOSES POUR PRODUIRE DES INHIBITEURS DE LA DIPEPTIDYLE-PEPTIDASE ET LEURS INTERMEDIAIRES

  摘要：

  公开号：

  WO2004052850A3
• 作为产物：
  描述：

  (5S)-2-oxopyrrolidine-1,5-dicarboxylic acid 1-(1,1-dimethylethyl)-5-ethyl ester 在 三乙基硼氢化锂 、 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.5h， 以100%的产率得到4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid 1-(1-dimethylethyl)-5-ethyl ester
  参考文献：
  名称：

  [EN] METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF
  [FR] PROCEDES ET COMPOSES POUR PRODUIRE DES INHIBITEURS DE LA DIPEPTIDYLE-PEPTIDASE ET LEURS INTERMEDIAIRES

  摘要：

  公开号：

  WO2004052850A3

文献信息

• CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS
  申请人：Borriello Manuela

  公开号：US20150087626A1

  公开（公告）日：2015-03-26

  There is described a novel group of cyclic amine derivative compounds, having an EP 4 receptor antagonistic activity and specifically pharmaceutical compounds which are useful for the treatment or alleviation of Prostaglandin E mediated diseases. The present invention therefore relates to novel compounds which are selective antagonists of the EP 4 subtype of PGE 2 receptors with analgesic and antinflammatory activity, processes for their preparation, pharmaceutical compositions containing them and their use as medicaments, inter alia for the treatment or alleviation of Prostaglandin E mediated diseases such as acute and chronic pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid arthritis, cancer, migraine and endometriosis.

  本发明描述了一组新型的环胺衍生物化合物，具有EP4受体拮抗活性，特别是用于治疗或缓解前列腺素E介导的疾病的药物化合物。因此，本发明涉及的是新型化合物，它们是PGE2受体的EP4亚型的选择性拮抗剂，具有镇痛和抗炎活性，其制备过程，包含它们的药物组合物以及它们作为药物的使用，例如用于治疗或缓解急性疼痛、慢性疼痛、骨关节炎、与炎症相关的疾病如关节炎、类风湿性关节炎、癌症、偏头痛和子宫内膜异位症的前列腺素E介导的疾病。
• [EN] CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS AMINÉS CYCLIQUES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR EP4
  申请人：ROTTAPHARM SPA

  公开号：WO2013004290A1

  公开（公告）日：2013-01-10

  There is described a novel group of cyclic amine derivative compounds, having an EP4 receptor antagonistic activity and specifically pharmaceutical compounds which are useful for the treatment or alleviation of Prostaglandin E mediated diseases. The present invention therefore relates to novel compounds which are selective antagonists of the EP4 subtype of PGE2 receptors with analgesic and antinflammatory activity, processes for their preparation, pharmaceutical compositions containing them and their use as medicaments, inter alia for the treatment or alleviation of Prostaglandin E mediated diseases such as acute and chronic pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid arthritis, cancer, migraine and endometriosis.

  本发明描述了一组新型的环状胺衍生物化合物，具有EP4受体拮抗活性，特别是用于治疗或减轻前列腺素E介导的疾病的药物化合物。因此，本发明涉及的是新型化合物，它们是PGE2受体的EP4亚型的选择性拮抗剂，具有镇痛和抗炎活性，其制备过程，包含它们的药物组合物以及它们作为药物的使用，包括用于治疗或减轻前列腺素E介导的疾病，如急性疼痛、慢性疼痛、骨关节炎、与炎症相关的疾病如关节炎、类风湿性关节炎、癌症、偏头痛和子宫内膜异位症。
• ENZYMATIC AMMONOLYSIS PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR DPP IV INHIBITORS
  申请人：Patel N. Ramesh

  公开号：US20070207527A1

  公开（公告）日：2007-09-06

  An enzymatic ammonolysis process is provided for the preparation of intermediates used in preparing dipeptidyl peptidase IV inhibitors wherein the enzyme Candida antarctica lipase-B is used to catalyze the ammonolysis process.

  提供了一种酶催化的氨解过程，用于制备用于制备二肽基肽酶IV抑制剂的中间体，在氨解过程中使用酵素Candida antarcticalipase-B进行催化。
• INHIBITORS OF POLO-LIKE KINASE
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US20150126502A1

  公开（公告）日：2015-05-07

  The present invention provides compounds having a structure according to Formula (I): or a salt or solvate thereof, wherein ring A, X, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 , are defined herein. The invention further provides pharmaceutical compositions including the compounds of the invention and methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various disorders, such as Parkinson's disease.

  本发明提供具有以下公式（I）的结构的化合物：或其盐或溶剂，其中环A，X，R1，R2，R3，R4，R5和R6在此定义。本发明还提供包括本发明化合物的制药组合物以及制备和使用本发明化合物和组合物的方法，例如在治疗和预防各种疾病，如帕金森病中的应用。
• Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor
  申请人：Bristol-Myers Squibb Company

  公开号：US20130204012A1

  公开（公告）日：2013-08-08

  A process for production of cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV is provided which employs a BOC-protected amine of the structure prepared by subjecting an acid of the structure to reduce amination by treating the acid with ammonium formate, nicotinamide adenine dinucleotide, dithiothreitol and partially purified phenylalanine dehydrogenase/formate dehydrogenase enzyme concentrate (PDH/FDH) and without isolating treating the resulting amine of the structure 2 with di-tert-butyl dicarbonate to form the BOC-protected amine.

  提供一种生产环丙基融合吡咯烷基二肽酶IV抑制剂的过程，该过程采用下列结构的BOC保护胺：通过将下列结构的酸进行还原胺化，使用甲酸铵、烟酰胺腺嘌呤二核苷酸、二硫苏糖醇和部分纯化的苯丙氨酸脱氢酶/甲酸脱氢酶酶浓缩物（PDH/FDH）处理该酸而制备得到，而不需要对得到的下列结构的胺进行隔离处理，即可使用二-叔丁基二碳酸酯对其进行BOC保护。