1-{2-[(R)-3-Benzoyl-5-(3,4-dichloro-phenyl)-oxazolidin-5-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide | 229184-17-2

• 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: 1-{2-[(R)-3-Benzoyl-5-(3,4-dichloro-phenyl)-oxazolidin-5-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
• 英文别名: 1-[2-[(5R)-3-Benzoyl-5-(3,4-dichlorophenyl)-5-oxazolidinyl]ethyl]-4-phenyl-4-piperidinecarboxamide；1-[2-[(5R)-3-benzoyl-5-(3,4-dichlorophenyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide
• CAS: 229184-17-2
• 化学式: C₃₀H₃₁Cl₂N₃O₃
• 分子量: 552.5
• InChiKey: BPASKODRCRZSFX-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [(R)-5-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-5-(3,4-dichloro-phenyl)-oxazolidin-3-yl]-phenyl-methanone 在 吡啶 、 4-二甲氨基吡啶 、 碳酸氢钠 、 溶剂黄146 、 potassium iodide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-{2-[(R)-3-Benzoyl-5-(3,4-dichloro-phenyl)-oxazolidin-5-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
  参考文献：
  名称：

  Combined NK1 and NK2 tachykinin receptor antagonists: Synthesis and structure-activity relationships of novel oxazolidine analogues

  摘要：

  We report herein the synthesis and structure-activity relationships of a series of novel oxazolidine analogues with regards to NK1 and NK2 tachykinin receptor binding affinity. Among this series of oxazolidine analogues, some compounds exhibited excellent high binding affinities for both NK1 and NK2 receptors. In addition, we describe the inhibitory effect in vivo on SP-induced airway vascular hyperpermeability and NKA-induced bronchoconstriction in guinea pigs. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00093-1

文献信息

• Combined NK1 and NK2 tachykinin receptor antagonists: Synthesis and structure-activity relationships of novel oxazolidine analogues
  作者：Takahide Nishi、Tetsuya Fukazawa、Koki Ishibashi、Katsuyoshi Nakajima、Yuki Sugioka、Yukiko Iio、Hitoshi Kurata、Kazuhiro Itoh、Osamu Mukaiyama、Yumiko Satoh、Takeshi Yamaguchi

  DOI：10.1016/s0960-894x(99)00093-1

  日期：1999.3

  We report herein the synthesis and structure-activity relationships of a series of novel oxazolidine analogues with regards to NK1 and NK2 tachykinin receptor binding affinity. Among this series of oxazolidine analogues, some compounds exhibited excellent high binding affinities for both NK1 and NK2 receptors. In addition, we describe the inhibitory effect in vivo on SP-induced airway vascular hyperpermeability and NKA-induced bronchoconstriction in guinea pigs. (C) 1999 Elsevier Science Ltd. All rights reserved.