2-(3-bromophenylthio)-3-(3-(pyridin-2-yl)propoxy)pyridine | 263390-88-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(3-bromophenylthio)-3-(3-(pyridin-2-yl)propoxy)pyridine
• 英文别名: 2-(3-Bromophenyl)sulfanyl-3-(3-pyridin-2-ylpropoxy)pyridine
• CAS: 263390-88-1
• 化学式: C₁₉H₁₇BrN₂OS
• 分子量: 401.327
• InChiKey: NAUNHTIYTTVTKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-溴苯硫酚 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 2-(3-bromophenylthio)-3-(3-(pyridin-2-yl)propoxy)pyridine
  参考文献：
  名称：

  Identification of 2,3-disubstituted pyridines as potent, orally active PDE4 inhibitors

  摘要：

  A series of 2,3-disubstituted pyridines were synthesized and evaluated for their PDE4 inhibitory activity. We successfully modified undesirable cyano group of initial lead compound 2 to 4-pyridyl group with improvement of in vitro efficacy and optimized the position of nitrogen atoms in pyridine moiety and alkylene linker. The most potent compound showed significant efficacy in animal models of asthma and inflammation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.07.007

文献信息

• Identification of 2,3-disubstituted pyridines as potent, orally active PDE4 inhibitors
  作者：Yoshihiro Kato、Motoji Kawasaki、Tomohiro Nigo、Shunya Nakamura、Akira Fusano、Yasuhiro Teranishi、Mari N. Ito、Takaaki Sumiyoshi

  DOI：10.1016/j.bmc.2013.07.007

  日期：2013.9

  A series of 2,3-disubstituted pyridines were synthesized and evaluated for their PDE4 inhibitory activity. We successfully modified undesirable cyano group of initial lead compound 2 to 4-pyridyl group with improvement of in vitro efficacy and optimized the position of nitrogen atoms in pyridine moiety and alkylene linker. The most potent compound showed significant efficacy in animal models of asthma and inflammation. (C) 2013 Elsevier Ltd. All rights reserved.