bromo-{1-[(2E)3-(3,4,5-trifluoro-phenyl)-acryloyl]-piperidin-4-yl}-acetic acid methyl ester | 881016-80-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: bromo-{1-[(2E)3-(3,4,5-trifluoro-phenyl)-acryloyl]-piperidin-4-yl}-acetic acid methyl ester
• 英文别名: Bromo-{1-[3-(3,4,5-trifluoro-phenyl)-acryloyl]-piperidin-4-yl}-acetic acid methyl ester；methyl 2-bromo-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetate
• CAS: 881016-80-4
• 化学式: C₁₇H₁₇BrF₃NO₃
• 分子量: 420.226
• InChiKey: KPHUYBLLDPHOIS-NSCUHMNNSA-N

物化性质

• 沸点：
  495.6±45.0 °C(Predicted)
• 密度：
  1.506±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bromo-{1-[(2E)3-(3,4,5-trifluoro-phenyl)-acryloyl]-piperidin-4-yl}-acetic acid methyl ester 、 3-(4’-哌啶基)-1H-吲哚 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以56%的产率得到[4-(1H-indol-3-yl)-piperidin-1-yl]-{1-[(2E)-3-(3,4,5-trifluoro-phenyl)-acryloyl]-piperidin-4-yl}-acetic acid methyl ester
  参考文献：
  名称：

  Substituted dipiperidine CCR2 antagonists

  摘要：

  Formula (I)的替代二哌啶化合物或其盐、异构体、前药、代谢物或多型体，其为CCR2拮抗剂，可用于预防、治疗或改善需要的主体中的CCR2介导的炎症综合症、紊乱或疾病。

  公开号：

  US20060069123A1

文献信息

• PIPERIDYL ACRYLAMIDE ANTAGONISTS OF CCR2
  申请人：Cai Chaozhong

  公开号：US20090318498A1

  公开（公告）日：2009-12-24

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 and X are as defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is uveitis, including acute, recurring or chronic uveitis. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明包括式I的化合物。其中：R1、R2、R3、R4、R5和X如规范中定义。该发明还包括一种治疗或改善综合征、疾病或疾病的方法，其中所述综合征、疾病或疾病是葡萄膜炎，包括急性、复发性或慢性葡萄膜炎。该发明还包括一种通过给哺乳动物施用至少一种式I化合物的治疗有效量来抑制CCR2活性的方法。
• PIPERIDYL ACRYLAMIDE ANTOGONISTS OF CCR2
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2307363A1

  公开（公告）日：2011-04-13
• US8188287B2
  申请人：——

  公开号：US8188287B2

  公开（公告）日：2012-05-29
• [EN] PIPERIDYL ACRYLAMIDE ANTOGONISTS OF CCR2<br/>[FR] ANTAGONISTES PIPÉRIDYL-ACRYLAMIDE DE CCR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010008761A1

  公开（公告）日：2010-01-21

  The present invention comprises compounds of Formula I. wherein: R1, R2, R3, R4, R5 and X are as defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is uveitis, including acute, recurring or chronic uveitis. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.
• Substituted dipiperidine CCR2 antagonists
  申请人：Xia Mingde

  公开号：US20060069123A1

  公开（公告）日：2006-03-30

  Substituted dipiperidine compounds of Formula (I) or a salt, isomer, prodrug, metabolite or polymorph thereof, which are CCR2 antagonists and are useful in preventing, treating or ameliorating CCR2 mediated inflammatory syndromes, disorders or diseases in a subject in need thereof.

  Formula (I)的替代二哌啶化合物或其盐、异构体、前药、代谢物或多型体，其为CCR2拮抗剂，可用于预防、治疗或改善需要的主体中的CCR2介导的炎症综合症、紊乱或疾病。