3-Piperidinamine, N-(((1R)-3,4-dihydro-6-methoxy-1-methyl-1-(trifluoromethyl)-1H-2-benzopyran-7-yl)methyl)-2-phenyl-, hydrochloride (1:2), (2S,3S)- | 225526-03-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-Piperidinamine, N-(((1R)-3,4-dihydro-6-methoxy-1-methyl-1-(trifluoromethyl)-1H-2-benzopyran-7-yl)methyl)-2-phenyl-, hydrochloride (1:2), (2S,3S)-
• 英文别名: (2S,3S)-N-[[(1R)-6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
• CAS: 225526-03-4
• 化学式: C24H31Cl2F3N2O2
• 分子量: 507.4
• InChiKey: KKNJXTXCALOALI-DYPVWFCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.47
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.5
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists
  申请人：Pfizer Inc.

  公开号：US20030208079A1

  公开（公告）日：2003-11-06

  This invention provides a compound of the formula: 1 and its pharmaceutically acceptable salts, wherein R 1 is C 1 -C 6 alkyl; R 2 is hydrogen, C 1 -C 6 alkyl, halo C 1 -C 6 alkyl or phenyl; R 3 is hydrogen or halo; R 4 and R 5 are independently hydrogen, C 1 -C 6 alkyl or halo C 1 -C 6 alkyl; and n is one, two or three. These compounds are useful as analgesics or anti-inflammatory agents, or in the treatment of cardiovascular diseases, allergic disorders, angiogenesis, CNS disorders, emesis, gastrointestinal disorders, sunburn, urinary incontinence, or diseases, disorders or adverse conditions caused by Helicobacter pylori, or the like, in a mammalian subject, especially humans. Intermediates for preparation of the compounds of Formula (I) are also disclosed.

  这项发明提供了以下化合物及其药用可接受的盐： 1 其中R 1 为C 1 -C 6 烷基；R 2 为氢、C 1 -C 6 烷基、卤代C 1 -C 6 烷基或苯基；R 3 为氢或卤素；R 4 和R 5 独立地为氢、C 1 -C 6 烷基或卤代C 1 -C 6 烷基；n为一、二或三。 这些化合物可用作镇痛剂或抗炎药，或用于治疗心血管疾病、过敏性疾病、血管生成、中枢神经系统疾病、呕吐、胃肠道疾病、晒伤、尿失禁，或由幽门螺杆菌等引起的疾病、疾病或不良状况，尤其是在哺乳动物主体，特别是人类中。还公开了制备式(I)化合物的中间体。
• Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds
  申请人：Pfizer Products Inc.

  公开号：EP1095939A2

  公开（公告）日：2001-05-02

  The present invention relates to a novel process for the preparation of a diastereomeric mixture of piperidinylaminomethyl trifluoromethyl cyclic ether compounds of formulae Ia and Ib: and pharmaceutically acceptable salts thereof, wherein R1 is C1-C6 alkyl; R2 is C1-C6 alkyl, halo C1-C6 alkyl or phenyl or substituted phenyl; R3 is hydrogen or halo; m is zero, one or two, and wherein said mixture is highly enriched in the compound of formula Ia, and to novel processes for the preparation and purification of intermediate compounds useful in the preparation of compounds of formulae Ia and Ib.

  本发明涉及一种制备式 Ia 和 Ib 的哌啶基氨基甲基三氟甲基环醚化合物非对映异构体混合物及其药物可接受盐的新工艺： 及其药学上可接受的盐，其中R1为C1-C6烷基；R2为C1-C6烷基、卤代C1-C6烷基或苯基或取代苯基；R3为氢或卤代；m为0、1或2，且所述混合物高度富含式Ia化合物，以及制备和纯化用于制备式Ia和Ib化合物的中间体化合物的新工艺。
• PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS
  申请人：PFIZER INC.

  公开号：EP1032571B1

  公开（公告）日：2002-06-12
• 1-TRIFLUOROMETHYL-4-HYDROXY-7-PIPERIDINYL-AMINOMETHYLCHROMAN DERIVATIVES
  申请人：Pfizer Products Inc.

  公开号：EP1178984B1

  公开（公告）日：2003-03-19
• US6486325B1
  申请人：——

  公开号：US6486325B1

  公开（公告）日：2002-11-26