[3-(4-hydroxy-2-methyl-2H-1,2-benzothiazine-1,1-dioxide-3-carboxamido)propyl]dimethylethyl ammonium iodide | 1213766-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: [3-(4-hydroxy-2-methyl-2H-1,2-benzothiazine-1,1-dioxide-3-carboxamido)propyl]dimethylethyl ammonium iodide
• 英文别名: Ethyl-[3-[(4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carbonyl)amino]propyl]-dimethylazanium;iodide；ethyl-[3-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]propyl]-dimethylazanium;iodide
• CAS: 1213766-68-7
• 化学式: C₁₇H₂₆N₃O₄S*I
• 分子量: 495.382
• InChiKey: HIYKGSMPWLQVFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.85
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[3-(dimethylamino)propyl]-2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide 、 碘乙烷 以 丙酮 为溶剂， 反应 6.0h， 以69%的产率得到[3-(4-hydroxy-2-methyl-2H-1,2-benzothiazine-1,1-dioxide-3-carboxamido)propyl]dimethylethyl ammonium iodide
  参考文献：
  名称：

  New quaternary ammonium oxicam derivatives: synthesis and in vitro antiosteoarthritis evaluation

  摘要：

  A series of new oxicam derivatives bearing a quaternary ammonium (QA) moiety was synthesized and evaluated in vitro for antiosteoarthritis properties. Propyltrimethyl ammonium 3 and propyldie-thylmethyl ammonium 11 stimulated aggrecan expression and mitigated the inhibitory action of IL-1. QA derivative 3 also increased TGF-beta 2 and type II receptor expression. These results suggest that such derivatives may not only inhibit the osteoarthritis degradation process but also stimulate its regeneration. QA derivatives 3 and 11 offer potential for developing new therapeutic approaches to osteoarthritis treatment. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.09.026

文献信息

• New quaternary ammonium oxicam derivatives: synthesis and in vitro antiosteoarthritis evaluation
  作者：Aurélien Vidal、Jean-Michel Chezal、Emmanuelle Mounetou

  DOI：10.1016/j.ejmech.2009.09.026

  日期：2010.1

  A series of new oxicam derivatives bearing a quaternary ammonium (QA) moiety was synthesized and evaluated in vitro for antiosteoarthritis properties. Propyltrimethyl ammonium 3 and propyldie-thylmethyl ammonium 11 stimulated aggrecan expression and mitigated the inhibitory action of IL-1. QA derivative 3 also increased TGF-beta 2 and type II receptor expression. These results suggest that such derivatives may not only inhibit the osteoarthritis degradation process but also stimulate its regeneration. QA derivatives 3 and 11 offer potential for developing new therapeutic approaches to osteoarthritis treatment. (C) 2009 Elsevier Masson SAS. All rights reserved.