2-[(1,4-Dioxo-2-naphthyl)sulfanyl]propanoic acid | 862776-63-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[(1,4-Dioxo-2-naphthyl)sulfanyl]propanoic acid
• 英文别名: 2-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
• CAS: 862776-63-4
• 化学式: C₁₃H₁₀O₄S
• 分子量: 262.286
• InChiKey: OUFIZXDVAUZHEC-UHFFFAOYSA-N

物化性质

• 熔点：
  134-135 °C(Solv: ethanol (64-17-5))
• 沸点：
  462.1±45.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(1,4-Dioxo-2-naphthyl)sulfanyl]propanoic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 4.0h， 生成 2-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoyl chloride
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 1,4-naphthoquinone derivatives as antibacterial and antiviral agents

  摘要：

  A series of 1,4-naphthoquinone derivatives were synthesized and evaluated for antibacterial and antiviral activities. The structure-activity relationships of these compounds were also studied. The results suggest that compounds 9-22 showed in vitro marked antibacterial activity. Compounds 4c and 7a showed inhibitory effect against RNA dependent RNA polymerase induced poliovirus type 2 infected HeLa cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.075
• 作为产物：
  描述：

  硫代乳酸 、 1,4-萘醌 以 乙醇 为溶剂， 反应 1.0h， 以72%的产率得到2-[(1,4-Dioxo-2-naphthyl)sulfanyl]propanoic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 1,4-naphthoquinone derivatives as antibacterial and antiviral agents

  摘要：

  A series of 1,4-naphthoquinone derivatives were synthesized and evaluated for antibacterial and antiviral activities. The structure-activity relationships of these compounds were also studied. The results suggest that compounds 9-22 showed in vitro marked antibacterial activity. Compounds 4c and 7a showed inhibitory effect against RNA dependent RNA polymerase induced poliovirus type 2 infected HeLa cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.075

文献信息

• Synthesis and biological evaluation of novel 1,4-naphthoquinone derivatives as antibacterial and antiviral agents
  作者：Vishnu K. Tandon、Dharmendra B. Yadav、Ravindra V. Singh、Meenu Vaish、Ashok K. Chaturvedi、Praveen K. Shukla

  DOI：10.1016/j.bmcl.2005.04.075

  日期：2005.7

  A series of 1,4-naphthoquinone derivatives were synthesized and evaluated for antibacterial and antiviral activities. The structure-activity relationships of these compounds were also studied. The results suggest that compounds 9-22 showed in vitro marked antibacterial activity. Compounds 4c and 7a showed inhibitory effect against RNA dependent RNA polymerase induced poliovirus type 2 infected HeLa cells. (c) 2005 Elsevier Ltd. All rights reserved.