3-trimethylstannanyl-5-chloropyridine | 198985-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-trimethylstannanyl-5-chloropyridine
• 英文别名: (5-chloropyridin-3-yl)-trimethylstannane
• CAS: 198985-45-4
• 化学式: C₈H₁₂ClNSn
• 分子量: 276.353
• InChiKey: NAVSQOSSUPNRHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-trimethylstannanyl-5-chloropyridine 、 2-bromo-3-(4-(methylsulfonyl)phenyl)-2-cyclopenten-1-one 在 tris(dibenzylideneacetone)dipalladium (0) 、 三苯胂 作用下， 以 various solvent(s) 为溶剂， 生成 2-(5-Chloropyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)-2-cyclopenten-1-one
  参考文献：
  名称：

  2,3-Diarylcyclopentenones as Orally Active, Highly Selective Cyclooxygenase-2 Inhibitors

  摘要：

  Cyclopentenones containing a 4-(methylsulfonyl)phenyl group in the 3-position and a phenyl ring in the 2-position are selective inhibitors of cyclooxygenase-2 (COX-2). The selectivity for COX-2 over COX-1 is dramatically improved by substituting the 2-phenyl group with halogens in the meta position or by replacing the phenyl ring with a 2- or 3-pyridyl ring. Thus the 3,5-difluorophenyl derivative 7 (L1776,967) and the 3-pyridyl derivative 13 (L-784,506) are particularly interesting as potential antiinflammatory agents with reduced side-effect profiles. Both exhibit good oral bioavailability and are potent in standard models of pain, fever, and inflammation yet have a much reduced effect on the GI integrity of rats compared to standard nonsteroidal antiflammatory drugs.

  DOI：

  10.1021/jm980642l

文献信息

• Pyridinyl-2-cyclopenten-1-ones as selective cyclooxygenase-2 inhibitors
  申请人：Merck Frosst Canada

  公开号：US05922742A1

  公开（公告）日：1999-07-13

  The invention encompasses the novel compound of Formula I as well as a method of treating COX-2 mediated diseases comprising administration to a patient in need of such treatment of a non-toxic therapeutically effective amount of a compound of Formula I. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of COX-2 mediated diseases comprising compounds of Formula I.

  该发明涵盖了化合物I的新型化合物，以及一种治疗COX-2介导的疾病的方法，包括向需要此种治疗的患者施用化合物I的非毒性治疗有效量。 ## STR1 ## 该发明还涵盖了用于治疗COX-2介导的疾病的某些药物组合物，其中包括化合物I。