S-(5,8-dihydroxy-1,4-naphthoquinon-2-yl)-2-mercaptopropionic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: S-(5,8-dihydroxy-1,4-naphthoquinon-2-yl)-2-mercaptopropionic acid
• 英文别名: 2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid；2-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
• 化学式: C₁₃H₁₀O₆S
• 分子量: 294.285
• InChiKey: NKCCLIOPANGWKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 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：
  137
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  硫代乳酸 、 萘茜 以 乙醇 为溶剂， 反应 1.0h， 生成 S-(5,8-dihydroxy-1,4-naphthoquinon-2-yl)-2-mercaptopropionic 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

• Tandon, V. K.; Vaish, Meenu; Khan, Z. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 4, p. 445 - 448
  作者：Tandon, V. K.、Vaish, Meenu、Khan, Z. K.

  DOI：——

  日期：——
• 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.