1-(methylsulfonyl)-N-(6-phenylpyridazin-3-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide | 1185761-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(methylsulfonyl)-N-(6-phenylpyridazin-3-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide
• 英文别名: 1-(methylsulfonyl)-N-(6-phenylpyridazin-3-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide；1-methylsulfonyl-N-(6-phenylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
• CAS: 1185761-75-4
• 化学式: C₂₄H₂₅N₅O₃S
• 分子量: 463.56
• InChiKey: FUWNOSZLTKKNOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  phenyl N-(6-phenylpyridazin-3-yl)carbamate 、 1-(甲基磺酰基)螺[吲哚啉-3,4’-哌啶] 在 三乙胺 作用下， 以 氯仿 为溶剂， 生成 1-(methylsulfonyl)-N-(6-phenylpyridazin-3-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide
  参考文献：
  名称：

  Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists

  摘要：

  A series of spiroindoline-3,40-piperidine derivatives were synthesized and evaluated for their binding affinities and antagonistic activities at Y5 receptors. Potent Y5 antagonists were tested for their oral bioavailabilities and brain penetration in rats. Some of the antagonists showed good oral bioavailability and/ or good brain penetration. In particular, compound 6e was orally bioavailable and brain penetrant, and oral administration of 6e inhibited bPP-induced food intake in rats with a minimum effective dose of 10 mg/ kg. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.02.035

文献信息

• Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists
  作者：Toshihiro Sakamoto、Minoru Moriya、Yuji Haga、Toshiyuki Takahashi、Takunobu Shibata、Osamu Okamoto、Katsumasa Nonoshita、Hidefumi Kitazawa、Masayasu Hidaka、Akira Gomori、Hisashi Iwaasa、Akane Ishihara、Akio Kanatani、Takehiro Fukami、Ying-Duo Gao、Douglas J. MacNeil、Lihu Yang

  DOI：10.1016/j.bmcl.2009.02.035

  日期：2009.3

  A series of spiroindoline-3,40-piperidine derivatives were synthesized and evaluated for their binding affinities and antagonistic activities at Y5 receptors. Potent Y5 antagonists were tested for their oral bioavailabilities and brain penetration in rats. Some of the antagonists showed good oral bioavailability and/ or good brain penetration. In particular, compound 6e was orally bioavailable and brain penetrant, and oral administration of 6e inhibited bPP-induced food intake in rats with a minimum effective dose of 10 mg/ kg. (C) 2009 Published by Elsevier Ltd.