2-[(4-nitrophenyl)thio]benzonitrile

• 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-[(4-nitrophenyl)thio]benzonitrile
• 英文别名: 2-(4-nitrophenylthio)benzonitrile；2-(4-nitrophenyl)sulfanylbenzonitrile
• 化学式: C₁₃H₈N₂O₂S
• mdl: MFCD12069577
• 分子量: 256.285
• InChiKey: HJSYZAWBXPDYCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(4-nitrophenyl)thio]benzonitrile 在 potassium permanganate 、 溶剂黄146 作用下， 以 水 为溶剂， 以67%的产率得到2-[(4-nitrophenyl)sulfonyl]benzonitrile
  参考文献：
  名称：

  WO2006/100519

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氟苯腈 、 4-nitro-thiophenol potassium salt 以 N,N-二甲基甲酰胺 为溶剂， 以28%的产率得到2-[(4-nitrophenyl)thio]benzonitrile
  参考文献：
  名称：

  WO2006/100519

  摘要：

  公开号：

文献信息

• Therapeutic amides
  申请人：Imperial Chemical Industries PLC

  公开号：US05272163A1

  公开（公告）日：1993-12-21

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the amides and pharmaceutical compositions containing them.

  酰胺具有以下化学式I：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和在体内可水解的酯，可用于治疗尿失禁。还提供了制备这些酰胺的方法和含有它们的药物组合物。
• Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists
  申请人：Curtis Neil Roy

  公开号：US20090012134A1

  公开（公告）日：2009-01-08

  Compounds of formula (I): are potent and selective antagonists of the 5-HT 2A receptor, and hence are useful in treatment of various CNS disorders.

  式(I)的化合物是5-HT2A受体的有效和选择性拮抗剂，因此在治疗各种中枢神经系统疾病中非常有用。
• <i>N</i>-Aryl-3,3,3-trifluoro-2-hydroxy-2-methylpropanamides:  K_ATP Potassium Channel Openers. Modifications on the Western Region
  作者：Cyrus J. Ohnmacht、Keith Russell、James R. Empfield、Cathy A. Frank、Keith H. Gibson、Daniel R. Mayhugh、Frances M. McLaren、Howard S. Shapiro、Frederick J. Brown、Diane A. Trainor、Christopher Ceccarelli、Margaret M. Lin、Brian B. Masek、Janet M. Forst、Robert J. Harris、James M. Hulsizer、Joseph J. Lewis、Stuart M. Silverman、Reed W. Smith、Paul J. Warwick、Sen T. Kau、Alexa L. Chun、Thomas L. Grant、Burton B. Howe、Jack H. Li、Shephali Trivedi、Tracy J. Halterman、Christopher Yochim、Martin C. Dyroff、M. Kirkland、Kathleen L. Neilson

  DOI：10.1021/jm960365n

  日期：1996.1.1

  A subset of antiandrogen compounds, the N-aryl-3,3,3-trinuoro-2-hydroxy-2-methylpropanamides 1, were found to activate ATP sensitive potassium channels (K-ATP) and represent a new class of potassium channel openers (PCOs). A structure-activity relationship was carried out on the western region of this series with the goal of obtaining an activator of the ATP sensitive potassium channel suitable for use in the treatment of urge urinary incontinence. In particular three large 4-(N-aryl) substituents, the (N-phenyl-N-methylamino)sulfonyl, benzoyl, and 4-pyridylsulfonyl moieties, yielded non-antiandrogen, K-ATP potassium channel openers (39, 41, and 64, respectively) that are bladder selective in an in vivo rat model that simultaneously measures bladder contractions, heart rate, and blood pressure. Substitutions of the aryl rings of 41 and 64 gave several derivatives that also display selectivity in the in vivo rat model; however, none appear to offer a substantial advantage over 41 and 64. The PCO activity of 41 and 64 resides in the (S)-(-) enantiomers. ZD6169, 41(S), has been selected into development for the treatment of urge urinary incontinence.
• ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1866300A1

  公开（公告）日：2007-12-19
• US5272163A
  申请人：——

  公开号：US5272163A

  公开（公告）日：1993-12-21