3-methoxy-4-methylsulfanylbenzonitrile | 918967-42-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-methoxy-4-methylsulfanylbenzonitrile
• 英文别名: 3-Methoxy-4-(methylsulfanyl)benzonitrile
• CAS: 918967-42-7
• 化学式: C₉H₉NOS
• 分子量: 179.243
• InChiKey: BJGDXVHIRXTRCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methoxy-4-methylsulfanylbenzonitrile 在 盐酸 、 硫代乙酰胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-(3-methoxy-4-methylthiophenyl)-4-(3,4-dihydrocarbostyril-6-yl)thiazole
  参考文献：
  名称：

  Novel Thiazole Derivatives as Inhibitors of Superoxide Production by Human Neutrophils: Synthesis and Structure-Activity Relationships

  摘要：

  Neutrophils have an important role in the self-defense systems of organisms through the production of superoxide. On the other hand, it has been proposed that abnormal amounts of superoxide produced by neutrophils are a serious factor in tissue injury. A series of novel thiazole derivatives was prepared and evaluated inhibitory effect on superoxide production by human neutrophils in vitro. Among these compounds, 6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-pyridine-2-carboxylic acid (OPC-6535) was selected as one of the most promising compounds. The synthesis and structure-activity relationships of these compounds are reported herein.

  DOI：

  10.1021/jm00002a017

文献信息

• GPCR Agonists
  申请人：Edward Stuart

  公开号：US20090325924A1

  公开（公告）日：2009-12-31

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of obesity and diabetes.

  化合物式(I)或其药学上可接受的盐是GPCR激动剂，可用于治疗肥胖症和糖尿病。
• [EN] GPCR AGONISTS<br/>[FR] AGONISTES DU GPCR
  申请人：PROSIDION LTD

  公开号：WO2007003960A1

  公开（公告）日：2007-01-11

  [EN] Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of obesity and diabetes.
  [FR] La présente invention concerne des composés de formule (I) : ou des sels de qualité pharmaceutique desdits composés, qui sont des agonistes du GPCR et peuvent être employés dans le traitement de l'obésité et du diabète.
• Novel Thiazole Derivatives as Inhibitors of Superoxide Production by Human Neutrophils: Synthesis and Structure-Activity Relationships
  作者：Masatoshi Chihiro、Hisashi Nagamoto、Isao Takemura、Kazuyoshi Kitano、Hajime Komatsu、Kazuo Sekiguchi、Fujio Tabusa、Toyoki Mori、Michiaki Tominaga、Youichi Yabuuchi

  DOI：10.1021/jm00002a017

  日期：1995.1

  Neutrophils have an important role in the self-defense systems of organisms through the production of superoxide. On the other hand, it has been proposed that abnormal amounts of superoxide produced by neutrophils are a serious factor in tissue injury. A series of novel thiazole derivatives was prepared and evaluated inhibitory effect on superoxide production by human neutrophils in vitro. Among these compounds, 6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-pyridine-2-carboxylic acid (OPC-6535) was selected as one of the most promising compounds. The synthesis and structure-activity relationships of these compounds are reported herein.