(S)-N-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-2-{4-[(3-hydroxy-propyl)-methyl-amino]-piperidin-1-yl}-N-methyl-2-phenyl-acetamide

• 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: (S)-N-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-2-{4-[(3-hydroxy-propyl)-methyl-amino]-piperidin-1-yl}-N-methyl-2-phenyl-acetamide
• 英文别名: N-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-2-{4-[(3-hydroxy-propyl)-methyl-amino]-piperidine-1-yl}-N-methyl-2-phenyl-acetamide；N-[2-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-2-{4-[(3-hydroxy-propyl)-methyl-amino]-piperidin-1-yl}-N-methyl-2-phenyl-acetamide；N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-N-methyl-2-phenylacetamide
• 化学式: C₂₈H₃₅F₆N₃O₂
• 分子量: 559.595
• InChiKey: NJGRIQCLLOJEHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-benzyl-4-[-(3-hydroxypropyl)-methylamino]-piperidine-dihydrochloride 在 palladium/charcoal 作用下， 生成 (S)-N-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-2-{4-[(3-hydroxy-propyl)-methyl-amino]-piperidin-1-yl}-N-methyl-2-phenyl-acetamide 、 3-hydroxypropyl-methyl-piperidin-1-ium-4-yl-ammonium dichloride
  参考文献：
  名称：

  Neurokinin antagonists

  摘要：

  该发明涉及新的化合物I1的公式或其药学上可接受的盐，其中R1代表3-羟基丙基，1,3-二羟基丙-2-基或C3-C6-环烷基甲基，而R2、R3、R4和Ar的含义如规范中所述，以及其制备和使用。这些新化合物是有价值的神经激肽（速激肽）拮抗剂。

  公开号：

  US20020147219A1

文献信息

• Pharmaceutical compositions based on anticholinergics and NK1-receptor antagonists
  申请人：——

  公开号：US20020169181A1

  公开（公告）日：2002-11-14

  The present invention relates to novel pharmaceutical compositions based on anticholinergics and NK 1 -receptor antagonists, processes for preparing them and their use in the treatment of respiratory tract diseases.

  本发明涉及基于抗胆碱药物和NK1受体拮抗剂的新型药物组合物，以及其制备过程和在治疗呼吸道疾病中的应用。
• Pharmaceutical compositions based on anticholinergics and additional active ingredients
  申请人：Pairet Michel

  公开号：US20050148562A1

  公开（公告）日：2005-07-07

  A pharmaceutical composition comprising an anticholinergic and at least one additional active ingredient selected from among corticosteroids, dopamine agonistes, PDE-IV inhibitors, NK1-antagonists, endothelin antagonists, antihistamines, and EGFR-kinase inhibitors, processes for preparing them and their use in the treatment of respiratory diseases.

  一种包括抗胆碱药物和至少一种额外活性成分的制药组合物，所述额外活性成分从皮质类固醇、多巴胺激动剂、PDE-IV抑制剂、NK1拮抗剂、内皮素拮抗剂、抗组胺药和EGFR激酶抑制剂中选择，以及制备它们的方法及其在治疗呼吸系统疾病中的用途。
• PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND NK1-RECEPTOR ANTAGONISTS
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20030212075A1

  公开（公告）日：2003-11-13

  The present invention relates to novel pharmaceutical compositions based on anticholinergics and NK 1 -receptor antagonists, processes for preparing them and their use in the treatment of respiratory tract diseases.

  本发明涉及基于抗胆碱药物和NK1受体拮抗剂的新型药物组合物，制备方法以及它们在呼吸道疾病治疗中的应用。
• Pharmaceutical compositions based on anticholingerics and additional active ingredients
  申请人：Pairet Michel

  公开号：US20100310477A1

  公开（公告）日：2010-12-09

  A pharmaceutical composition comprising an anticholinergic and at least one additional active ingredient selected from among corticosteroids, dopamine agonistes, PDE-IV inhibitors, NK1-antagonists, endothelin antagonists, antihistamines, and EGFR-kinase inhibitors, processes for preparing them and their use in the treatment of respiratory diseases.

  一种药物组合物，包括抗胆碱药和至少一种来自于皮质类固醇、多巴胺激动剂、PDE-IV抑制剂、NK1受体拮抗剂、内皮素拮抗剂、抗组胺药和EGFR激酶抑制剂的其他活性成分，以及其制备方法和在呼吸系统疾病治疗中的应用。
• EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2116245A2

  公开（公告）日：2009-11-11

  The present invention relates to novel pharmaceutical compositions comprising at least one EGFR kinase inhibitor and at least one additional active compound selected from beta-2 mimetics, steroids, PDE-IV inhibitors, p38 MAP kinase inhibitors, NK1 antagonists and endothelin-antagonists, processes for preparing the compositions and the use thereof as medicament in the treatment of respiratory or gastrointestinal complaints, as well as inflammatory diseases of the joints, the skin or the eyes.

  本发明涉及新型药物组合物，该组合物包含至少一种表皮生长因子受体激酶抑制剂和至少另外一种选自β-2模拟物、类固醇、PDE-IV抑制剂、p38 MAP激酶抑制剂、NK1拮抗剂和内皮素拮抗剂的活性化合物；本发明还涉及组合物的制备工艺及其在治疗呼吸道或胃肠道疾病以及关节、皮肤或眼睛炎症性疾病中的用途。