1,1-diethyl-3-[(Z)-[1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxoindol-3-ylidene]amino]thiourea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,1-diethyl-3-[(Z)-[1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxoindol-3-ylidene]amino]thiourea
• 化学式: C₂₄H₂₉FN₆OS
• 分子量: 468.598
• InChiKey: VRAOSNXNWDIHJA-ROMGYVFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.42
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N,N-二乙基肼硫代酰胺 在 溶剂黄146 作用下， 生成 1,1-diethyl-3-[(Z)-[1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxoindol-3-ylidene]amino]thiourea
  参考文献：
  名称：

  Synthesis and evaluation of anti-HIV activity of isatin β-thiosemicarbazone derivatives

  摘要：

  On the basis of pharmacophoric modelling studies of existing NNRTIs, a series of isatin beta-thiosemicarbazonc derivatives was synthesized and evaluated for their anti-HIV activity in HTLV-IIIB strain in the CEM cell line. Three compounds showed significant anti-HIV activity, whereupon compound 6 was found to be the most active compound with an EC50 value of 2.62 mu M and a selectivity index of 17.41, while not being cytotoxic to the cell line at a CC50 value of 44.90 mu M. Other tested compounds exhibited marked activity below their toxicity threshold. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.046

文献信息

• Synthesis and evaluation of anti-HIV activity of isatin β-thiosemicarbazone derivatives
  作者：Tanushree Ratan Bal、Balasubramani Anand、Perumal Yogeeswari、Dharmarajan Sriram

  DOI：10.1016/j.bmcl.2005.07.046

  日期：2005.10

  On the basis of pharmacophoric modelling studies of existing NNRTIs, a series of isatin beta-thiosemicarbazonc derivatives was synthesized and evaluated for their anti-HIV activity in HTLV-IIIB strain in the CEM cell line. Three compounds showed significant anti-HIV activity, whereupon compound 6 was found to be the most active compound with an EC50 value of 2.62 mu M and a selectivity index of 17.41, while not being cytotoxic to the cell line at a CC50 value of 44.90 mu M. Other tested compounds exhibited marked activity below their toxicity threshold. (c) 2005 Elsevier Ltd. All rights reserved.