tert-butyl N-[(3S)-1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenyl]pyrrolidin-3-yl]carbamate | 1232361-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-butyl N-[(3S)-1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenyl]pyrrolidin-3-yl]carbamate
• CAS: 1232361-11-3
• 化学式: C₂₆H₂₉N₃O₆S
• 分子量: 511.599
• InChiKey: KKALGPMNSAVXQQ-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tert-butyl N-[(3S)-1-[4-amino-3-(naphthalen-1-ylsulfonylmethyl)phenyl]pyrrolidin-3-yl]carbamate 在 10% palladium on carbon 、 氢气 作用下， 生成 tert-butyl N-[(3S)-1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenyl]pyrrolidin-3-yl]carbamate
  参考文献：
  名称：

  5-Cyclic Amine-3-arylsulfonylindazoles as Novel 5-HT₆ Receptor Antagonists

  摘要：

  Novel 5-cyclic amine-3-arylsulfonylindazoles were prepared, and several analogues within this class have been identified as high-affinity 5-HT6 receptor ligands with improved pharmacokinetic and pharmacological properties. One selected example, 18b, showed good brain penetrability and a generally favorable pharmacokinetic profile with procognitive efficacy in the rat novel object recognition assay. The synthesis and structure activity relationship of this potent class are discussed.

  DOI：

  10.1021/jm901674f

文献信息

• 5-Cyclic Amine-3-arylsulfonylindazoles as Novel 5-HT₆ Receptor Antagonists
  作者：Simon N. Haydar、Heedong Yun、Patrick M. Andrae、James Mattes、Jean Zhang、Angela Kramer、Deborah L. Smith、Christine Huselton、Radka Graf、Suzan Aschmies、Lee E. Schechter、Thomas A. Comery、Albert J. Robichaud

  DOI：10.1021/jm901674f

  日期：2010.3.25

  Novel 5-cyclic amine-3-arylsulfonylindazoles were prepared, and several analogues within this class have been identified as high-affinity 5-HT6 receptor ligands with improved pharmacokinetic and pharmacological properties. One selected example, 18b, showed good brain penetrability and a generally favorable pharmacokinetic profile with procognitive efficacy in the rat novel object recognition assay. The synthesis and structure activity relationship of this potent class are discussed.