2-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid
• 英文别名: 2-[(3-Methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid；2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
• 化学式: C₁₄H₁₂O₄S
• 分子量: 276.313
• InChiKey: WTHMUBUXTRZTIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  96.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲萘醌 、 硫代乳酸 以 乙醇 为溶剂， 反应 1.0h， 生成 2-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic 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

• USE OF BENZENE DERIVATIVES AS CHARGE TRANSFER MEDIATORS
  申请人：NOVO NORDISK A/S

  公开号：EP0552223A1

  公开（公告）日：1993-07-28
• [EN] USE OF BENZENE DERIVATIVES AS CHARGE TRANSFER MEDIATORS
  申请人：——

  公开号：WO1992007263A1

  公开（公告）日：1992-04-30

  [EN] Benzene derivatives having optionally substituted amino or morpholino in the 1 and 4 position, optionally alkyl in the 2, 3 and 6 position and optionally alkyl or nitro in the 5 position or wherein the 1 and 6 substituents together form a heterocyclic ring, can be used as a charge transfer mediator in a biochemical process involving electron transfer between a redox system and an electrode comprising a paste of electrically conductive particles and a pasting material.
  [FR] On peut utiliser des dérivés benzéniques possédant un amino ou morpholino facultativement substitué en position 1 et 4, éventuellement un alcoyle en position 2,3, et 6 et éventuellement un alcoyle ou un nitro en position 5 ou dans lesquels les substituants 1 et 6 forment ensemble un noyau hétérocyclique comme médiateur de transfert de charge dans un procédé biochimique comportant le transfert d'électrons entre un système de redox et une électrode comprenant une pâte de particules électriquement conductrices et un matériau d'empâtage.
• 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.