3,6-dimethylnaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione | 138963-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,6-dimethylnaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione
• 英文别名: 1,4-naphth[1,2]oxathiino[5,6-c]-8,11-dimethyl-1,4-oxathiin-7,12-dione；5,10-dimethyl-3,12-dioxa-6,9-dithiatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),8(13),14,16-pentaene-4,11-dione
• CAS: 138963-68-5
• 化学式: C₁₆H₁₂O₄S₂
• 分子量: 332.401
• InChiKey: JOYILKNUXBWVFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  硫代乳酸 、 1,4-萘醌 以 乙醇 为溶剂， 反应 1.5h， 以63%的产率得到3,6-dimethylnaphtho<1,2-b:4,3-b'>bis<1,4>oxathiin-2,7-dione
  参考文献：
  名称：

  Tandon, V K; Vaish, Meenu; Jain, Sudha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 1, p. 53 - 54

  摘要：

  DOI：

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.