2-Nitro-5-aminodiphenylsulfid | 28819-80-9

• 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-Nitro-5-aminodiphenylsulfid
• 英文别名: Aniline, 4-nitro-3-phenylthio-；4-nitro-3-phenylsulfanylaniline
• CAS: 28819-80-9
• 化学式: C₁₂H₁₀N₂O₂S
• 分子量: 246.29
• InChiKey: KTUGOFDZPGGYLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 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：
  97.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Nitro-5-aminodiphenylsulfid 在 palladium on activated charcoal 氢气 、 N,N-二甲基苯胺 作用下， 以 乙腈 为溶剂， 30.0 ℃ 、101.33 kPa 条件下， 生成 N-(4-Amino-3-phenylsulfanyl-phenyl)-acetamide
  参考文献：
  名称：

  Rajappa, Srinivasachari; Sreenivasan, Ramaswami; Khalwadekar, Asha, Journal of Chemical Research, Miniprint, 1986, # 5, p. 1657 - 1675

  摘要：

  DOI：

文献信息

• <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.
• Rajappa, Srinivasachari; Sreenivasan, Ramaswami; Khalwadekar, Asha, Journal of Chemical Research, Miniprint, 1986, # 5, p. 1657 - 1675
  作者：Rajappa, Srinivasachari、Sreenivasan, Ramaswami、Khalwadekar, Asha

  DOI：——

  日期：——

表征谱图