3-(5-phenyl-pentyloxy)-phenylamine | 1007863-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(5-phenyl-pentyloxy)-phenylamine
• 英文别名: 3-(5-Phenyl-pentyloxy)phenylamine；3-(5-phenylpentoxy)aniline
• CAS: 1007863-93-5
• 化学式: C₁₇H₂₁NO
• 分子量: 255.36
• InChiKey: HTHXKEQOLKNFPJ-UHFFFAOYSA-N

物化性质

• 沸点：
  434.5±28.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-硫羰基二咪唑 、 3-(5-phenyl-pentyloxy)-phenylamine 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Design, synthesis, and anti-HCV activity of thiourea compounds

  摘要：

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.048
• 作为产物：
  描述：

  1-nitro-3-(5-phenylpentoxy)benzene 在 tin(II) chloride dihdyrate 作用下， 以 乙醇 为溶剂， 生成 3-(5-phenyl-pentyloxy)-phenylamine
  参考文献：
  名称：

  Design, synthesis, and anti-HCV activity of thiourea compounds

  摘要：

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.048

文献信息

• THIOUREA COMPOUNDS
  申请人：Chern Jyh-Haur

  公开号：US20080096875A1

  公开（公告）日：2008-04-24

  This invention relates to thiourea compounds of formula (II) shown below: Each variable in formula (I) is defined in the specification. These compounds can be used to treat hepatitis C virus infection.

  本发明涉及以下公式（II）的硫脲化合物：公式（I）中的每个变量在说明书中有定义。这些化合物可用于治疗丙型肝炎病毒感染。
• WO2008/22204
  申请人：——

  公开号：——

  公开（公告）日：——
• DE2855699
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] THIOUREA COMPOUNDS<br/>[FR] COMPOSÉS DE THIO-URÉE
  申请人：NAT HEALTH RESEARCH INSTITUTES

  公开号：WO2008022204A2

  公开（公告）日：2008-02-21

  [EN] This invention relates to thiourea compounds described herein. These thiourea compounds can be used to treat hepatitis C virus infection.
  [FR] La présente invention concerne des composés de thio-urée décrits dans le présent document. Ces composés de thio-urée peuvent être employés pour traiter l'infection par le virus de l'hépatite C.
• Design, synthesis, and anti-HCV activity of thiourea compounds
  作者：Iou-Jiun Kang、Li-Wen Wang、Chung-Chi Lee、Yen-Chun Lee、Yu-Sheng Chao、Tsu-An Hsu、Jyh-Haur Chern

  DOI：10.1016/j.bmcl.2009.02.048

  日期：2009.4

  A series of thiourea derivatives were synthesized and their antiviral activity was evaluated in a cell-based HCV subgenomic replicon assay. SAR studies revealed that the chain length and the position of the alkyl linker largely influenced the in vitro anti-HCV activity of this class of potent antiviral agents. Among this series of compounds synthesized, the thiourea derivative with a six-carbon alkyl linker at the meta-position of the central phenyl ring (10) was identified as the most potent anti-HCV inhibitor (EC50 = 0.047 mu M) with a selectivity index of 596. (C) 2009 Elsevier Ltd. All rights reserved.