(R)-methyl 4-(1-(piperidine-2-carboxamido)cyclopropyl)benzoate | 1417560-94-1

• 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: (R)-methyl 4-(1-(piperidine-2-carboxamido)cyclopropyl)benzoate
• 英文别名: methyl 4-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclopropyl]benzoate
• CAS: 1417560-94-1
• 化学式: C₁₇H₂₂N₂O₃
• 分子量: 302.373
• InChiKey: JIMCYFAIPYTHCI-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-methyl 4-(1-(piperidine-2-carboxamido)cyclopropyl)benzoate 在 lithium hydroxide monohydrate 、 水 、 caesium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 29.0h， 生成 (R)-4-(1-(1-(4-(trifluoromethyl)benzyl)piperidine-2-carboxamido)cyclopropyl)benzoic acid
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS
  [FR] COMBINAISON PHARMACEUTIQUE D'UN ANTAGONISTE D'EP4 ET D'INHIBITEURS DE POINTS DE CONTRÔLE IMMUNITAIRES POUR LE TRAITEMENT DE TUMEURS

  摘要：

  本发明提供了一种药物组合，包括化学式为(R)-4-(1-(6-(4-(三氟甲基)苯基)-6-氮杂螺[2.5]辛烷-5-羧胺基)环丙基)-苯甲酸的EP4拮抗剂或其药用可接受的盐，以及至少一种免疫检查点抑制剂，最好是(R)-4-(1-(6-(4-(三氟甲基)苯基)-6-氮杂螺[2.5]辛烷-5-羧胺基)环丙基)苯甲酸的钠盐。还描述了一种(R)-4-(1-(6-(4-(三氟甲基)苯基)-6-氮杂螺[2.5]辛烷-5-羧胺基)环丙基)苯甲酸钠盐的多形态A，其特征是具有在角度2θ±0.2°处的峰值的粉末XRD谱，分别为4.3、5.0、5.8、6.4、7.1、8.3、8.7、12.8、15.3、15.9。该组合物和多形态A用于肿瘤治疗。

  公开号：

  WO2020208088A1
• 作为产物：
  描述：

  4-(1-氨基环丙基)-苯甲酸甲酯 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 19.67h， 生成 (R)-methyl 4-(1-(piperidine-2-carboxamido)cyclopropyl)benzoate
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMBINATION OF AN EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITORS FOR THE TREATMENT OF TUMOURS
  [FR] COMBINAISON PHARMACEUTIQUE D'UN ANTAGONISTE D'EP4 ET D'INHIBITEURS DE POINTS DE CONTRÔLE IMMUNITAIRES POUR LE TRAITEMENT DE TUMEURS

  摘要：

  本发明提供了一种药物组合，包括化学式为(R)-4-(1-(6-(4-(三氟甲基)苯基)-6-氮杂螺[2.5]辛烷-5-羧胺基)环丙基)-苯甲酸的EP4拮抗剂或其药用可接受的盐，以及至少一种免疫检查点抑制剂，最好是(R)-4-(1-(6-(4-(三氟甲基)苯基)-6-氮杂螺[2.5]辛烷-5-羧胺基)环丙基)苯甲酸的钠盐。还描述了一种(R)-4-(1-(6-(4-(三氟甲基)苯基)-6-氮杂螺[2.5]辛烷-5-羧胺基)环丙基)苯甲酸钠盐的多形态A，其特征是具有在角度2θ±0.2°处的峰值的粉末XRD谱，分别为4.3、5.0、5.8、6.4、7.1、8.3、8.7、12.8、15.3、15.9。该组合物和多形态A用于肿瘤治疗。

  公开号：

  WO2020208088A1

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。
• [EN] CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS AMINÉS CYCLIQUES EN TANT QU'AGONISTES DU RÉCEPTEUR EP4
  申请人：ROTTAPHARM SPA

  公开号：WO2013004291A1

  公开（公告）日：2013-01-10

  There is described a group of novel cyclic amine derivative compounds having an EP4 receptor agonistic activity. Specifically, the compounds according to the invention are provided with analgesic, antiinflammatory, antiglaucoma activity, and also with anti-osteoporosis and antiulcerative activity. The present invention therefore relates to novel cyclic amine derivative compounds, 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 pain, glaucoma, ulcerative colitis and osteoporosis.

  本发明涉及一组具有EP4受体激动活性的新型环胺衍生物化合物。具体地，根据本发明的化合物具有镇痛、抗炎、抗青光眼活性，同时还具有抗骨质疏松和抗溃疡活性。因此，本发明涉及新型环胺衍生物化合物，其制备方法、含有它们的药物组合物以及它们作为药物的用途，包括用于治疗或缓解前列腺素E介导的疾病，如疼痛、青光眼、溃疡性结肠炎和骨质疏松症。
• CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS
  申请人：Borriello Manuela

  公开号：US20140243373A1

  公开（公告）日：2014-08-28

  There is described a group of novel cyclic amine derivative compounds having an EP 4 receptor agonistic activity. Specifically, the compounds according to the invention are provided with analgesic, antinflammatory, antiglaucoma activity, and also with anti-osteoporosis and antiulcerative activity. The present invention therefore relates to novel cyclic amine derivative compounds, 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 pain, glaucoma, ulcerative colitis and osteoporosis.

  本文描述了一组新型环胺衍生物化合物，具有EP4受体激动活性。具体来说，根据本发明的化合物具有镇痛、抗炎、抗青光眼活性，以及抗骨质疏松和抗溃疡活性。因此，本发明涉及新型环胺衍生物化合物、其制备方法、含有它们的药物组合物以及它们作为药物的用途，其中包括用于治疗或缓解前列腺素E介导的疾病，如疼痛、青光眼、溃疡性结肠炎和骨质疏松症。
• Cyclic amine derivatives as EP4 receptor antagonists
  申请人：Borriello Manuela

  公开号：US09181279B2

  公开（公告）日：2015-11-10

  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.

  本发明描述了一类新型的环状胺衍生物化合物，具有EP4受体拮抗活性，特别是具有治疗或缓解前列腺素E介导疾病的药物化合物。因此，本发明涉及一种新型化合物，其是PGE2受体EP4亚型的选择性拮抗剂，具有镇痛和抗炎活性，制备过程、含有它们的制药组合物以及它们作为药物的用途，包括治疗或缓解前列腺素E介导的疾病，如急性和慢性疼痛、骨关节炎、炎症相关的疾病如关节炎、类风湿关节炎、癌症、偏头痛和子宫内膜异位症。