4-(4-amino-2-nitro-phenylsulfanyl)-phenol | 530135-26-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(4-amino-2-nitro-phenylsulfanyl)-phenol
• 英文别名: 4-(4-amino-2-nitrophenyl)sulfanylphenol
• CAS: 530135-26-3
• 化学式: C₁₂H₁₀N₂O₃S
• 分子量: 262.289
• InChiKey: WIMWZBDDOZWDOL-UHFFFAOYSA-N

物化性质

• 熔点：
  172-175 °C
• 沸点：
  511.3±50.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  117
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-amino-2-nitro-phenylsulfanyl)-phenol 在 铁粉 、 sodium cyanoborohydride 、 氯化铵 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 17.5h， 生成 4-(2-amino-4-benzylamino-phenylsulfanyl)-phenol
  参考文献：
  名称：

  WO2008/133753

  摘要：

  公开号：
• 作为产物：
  描述：

  3-硝基-4-氯苯胺 、 4-羟基苯硫酚 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以92%的产率得到4-(4-amino-2-nitro-phenylsulfanyl)-phenol
  参考文献：
  名称：

  WO2008/133753

  摘要：

  公开号：

文献信息

• ANTI-VIRAL COMPOUNDS
  申请人：Betebenner A. David

  公开号：US20070232627A1

  公开（公告）日：2007-10-04

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

  本发明公开了一种有效抑制丙型肝炎病毒（“HCV”）或其他病毒复制的化合物。本发明还涉及包含这些化合物的组合物、这些化合物与其他抗病毒或治疗剂的共同配方或共同管理、用于合成这些化合物的过程和中间体，以及使用这些化合物治疗HCV或其他病毒感染的方法。
• Anti-viral compounds
  申请人：Abbott Laboratories

  公开号：US07763731B2

  公开（公告）日：2010-07-27

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

  本发明揭示了一种有效抑制丙型肝炎病毒（“HCV”）或其他病毒复制的化合物。该发明还涉及包含这种化合物的组合物、与其他抗病毒或治疗剂共同配方或共同管理这种化合物的组合物、用于合成这种化合物的过程和中间体，以及使用这种化合物治疗HCV或其他病毒感染的方法。
• Anti-Viral Compounds
  申请人：Rockway Todd W.

  公开号：US20100256139A1

  公开（公告）日：2010-10-07

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

  本发明揭示了一些有效抑制丙型肝炎病毒（“HCV”）或其他病毒复制的化合物。本发明还涉及包含这些化合物的组合物，这些化合物与其他抗病毒或治疗剂的联合制剂或联合给药，用于合成这些化合物的过程和中间体，以及使用这些化合物治疗HCV或其他病毒感染的方法。
• Antiviral compounds
  申请人：Abbott Laboratories

  公开号：EP2345652A1

  公开（公告）日：2011-07-20

  The present invention is directed to the use of compounds effective in inhibiting replication of Hepatitis C virus ("HCV") or other viruses, tautomers of said compounds, or pharmaceutically acceptable salts of said compounds or tautomers, for the manufacture of a medicament for the treatment of HCV.

  本发明涉及使用能有效抑制丙型肝炎病毒（"HCV"）或其他病毒复制的化合物、所述化合物的同系物或所述化合物或同系物的药学上可接受的盐，制造治疗 HCV 的药物。
• Nitrophenyl Derivatives as Aldose Reductase Inhibitors
  作者：Luca Costantino、Anna Maria Ferrari、Maria Cristina Gamberini、Giulio Rastelli

  DOI：10.1016/s0968-0896(02)00318-8

  日期：2002.12

  Nitrophenyl derivatives ere recently discovered as a new class of ALR2 inhibitors by means of docking and database screening of the National Cancer Institute database of organic molecules. The nitro group was predicted to bind to the Tyr48 and His110 active site residues of the enzyme. the site adhere acidic ALR2 inhibitors such as carboxylic acids bind in their anionic form. Given the novelty of these Compounds. we decided to expand their structure-activity relationships by synthesizing and testing a series of derivatives and the corresponding compounds having a carboxylic group instead of the nitro moiety: the results obtained were rationalized by means of docking and molecular dynamics simulations. On the whole there is an agreement between inhibitory data and the results of molecular modeling experiments. supporting the hypothesized binding mode of these compounds. (C) 2002 Elsevier Science Ltd. All rights reserved.