1-(methylsulfonyl)-N-(5-phenylpyrimidin-2-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide

• 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-(5-phenylpyrimidin-2-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide
• 英文别名: 1-methylsulfonyl-N-(5-phenyl-2-pyrimidinyl)spiro[indoline-3,4'-piperidine]-1'-carboxamide；1-(methylsulfonyl)-N-(5-phenylpyrimidin-2-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide；1-methylsulfonyl-N-(5-phenylpyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
• 化学式: C₂₄H₂₅N₅O₃S
• 分子量: 463.56
• InChiKey: BICHPJZKROOPGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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-(5-phenyl-2-pyrimidinyl)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-(5-phenylpyrimidin-2-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

• Spiro-indolines as Y5 receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US20040063942A1

  公开（公告）日：2004-04-01

  Compounds of general structural formula I such as that shown in structural formula II 1 are selective NPY Y5 receptor antagonists, useful in the treatment of obesity and the complications associated therewith.

  通用结构式I所示的化合物，如结构式II1所示，是选择性的NPY Y5受体拮抗剂，可用于治疗肥胖及其相关并发症。
• SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1129089B1

  公开（公告）日：2005-12-28
• US6191160B1
  申请人：——

  公开号：US6191160B1

  公开（公告）日：2001-02-20
• US6313298B1
  申请人：——

  公开号：US6313298B1

  公开（公告）日：2001-11-06
• US6495559B2
  申请人：——

  公开号：US6495559B2

  公开（公告）日：2002-12-17