ST-889 | 1158961-30-8

• 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: ST-889
• 英文别名: 4-Fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperidine；4-fluoro-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine
• CAS: 1158961-30-8
• 化学式: C₂₀H₃₁FN₂O
• 分子量: 334.477
• InChiKey: DGVKMLVLUHANCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氟哌啶 、 4-(3-(piperidin-1-yl)propoxy)benzaldehyde 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 ST-889
  参考文献：
  名称：

  Fluorinated non-imidazole histamine H3 receptor antagonists

  摘要：

  Fluorine substituents have become a widespread and important component in drug design and development. Here, the synthesis of fluorine containing compounds and some corresponding precursor molecules are presented for potential isotope labelling as well as their data obtained with in vitro and in vivo screenings. The compounds vary in the basic centres (piperidine or pyrrolidine) and are fluoro substituted in different positions of the basic alicyclic moiety. Pharmacological evaluation resulted in ligands with high affinities at hH(3) receptor in the nanomolar and subnanomolar concentration range and some with high antagonist in vivo potencies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.110

文献信息

• Fluorinated non-imidazole histamine H3 receptor antagonists
  作者：K. Isensee、M. Amon、A. Galaparti、X. Ligneau、J.-C. Camelin、M. Capet、J.-C. Schwartz、H. Stark

  DOI：10.1016/j.bmcl.2009.02.110

  日期：2009.4

  Fluorine substituents have become a widespread and important component in drug design and development. Here, the synthesis of fluorine containing compounds and some corresponding precursor molecules are presented for potential isotope labelling as well as their data obtained with in vitro and in vivo screenings. The compounds vary in the basic centres (piperidine or pyrrolidine) and are fluoro substituted in different positions of the basic alicyclic moiety. Pharmacological evaluation resulted in ligands with high affinities at hH(3) receptor in the nanomolar and subnanomolar concentration range and some with high antagonist in vivo potencies. (C) 2009 Elsevier Ltd. All rights reserved.