3-(4-benzylpiperazin-1-ylmethyl)-5-[5-(4-methoxyphenyl)-3-naphthalen-2-yl-4,5-dihydropyrazol-1-yl]thiazolidine-2,4-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(4-benzylpiperazin-1-ylmethyl)-5-[5-(4-methoxyphenyl)-3-naphthalen-2-yl-4,5-dihydropyrazol-1-yl]thiazolidine-2,4-dione
• 英文别名: 3-[(4-Benzylpiperazin-1-yl)methyl]-5-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazolidine-2,4-dione；3-[(4-benzylpiperazin-1-yl)methyl]-5-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazolidine-2,4-dione
• 化学式: C₃₅H₃₅N₅O₃S
• 分子量: 605.761
• InChiKey: RKHLUIULTYXGQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  94
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-(4-methoxyphenyl)-3-naphthalen-2-yl-4,5-dihydro-1H-pyrazole 以 乙醇 为溶剂， 反应 2.0h， 生成 3-(4-benzylpiperazin-1-ylmethyl)-5-[5-(4-methoxyphenyl)-3-naphthalen-2-yl-4,5-dihydropyrazol-1-yl]thiazolidine-2,4-dione
  参考文献：
  名称：

  Synthesis and biological activity evaluation of 5-pyrazoline substituted 4-thiazolidinones

  摘要：

  A series of novel 5-pyrazoline substituted 4-thiazolidinones have been synthesized. Target compounds were evaluated for their anticancer activity in vitro within DTP NCI protocol. Among the tested compounds, the derivatives 4d and 4f were found to be the most active, which demonstrated certain sensitivity profile toward the leukemia subpanel cell lines with GI(50) value ranges of 2.12-4.58 mu M (4d) and 1.64-3.20 mu M (4f). The screening of antitrypanosomal and antiviral activities of 5-(3-naphthalen-2yl-5-aryl-4,5-dihydropyrazol-1-yl)-thiazolidine-2,4-diones was carried out with the promising influence of the mentioned compounds on Tiypanosoma brucei, but minimal effect on SARS coronavirus and influenza types A and B viruses. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.05.044

文献信息

• Synthesis and biological activity evaluation of 5-pyrazoline substituted 4-thiazolidinones
  作者：Dmytro Havrylyuk、Borys Zimenkovsky、Olexandr Vasylenko、Craig W. Day、Donald F. Smee、Philippe Grellier、Roman Lesyk

  DOI：10.1016/j.ejmech.2013.05.044

  日期：2013.8

  A series of novel 5-pyrazoline substituted 4-thiazolidinones have been synthesized. Target compounds were evaluated for their anticancer activity in vitro within DTP NCI protocol. Among the tested compounds, the derivatives 4d and 4f were found to be the most active, which demonstrated certain sensitivity profile toward the leukemia subpanel cell lines with GI(50) value ranges of 2.12-4.58 mu M (4d) and 1.64-3.20 mu M (4f). The screening of antitrypanosomal and antiviral activities of 5-(3-naphthalen-2yl-5-aryl-4,5-dihydropyrazol-1-yl)-thiazolidine-2,4-diones was carried out with the promising influence of the mentioned compounds on Tiypanosoma brucei, but minimal effect on SARS coronavirus and influenza types A and B viruses. (C) 2013 Elsevier Masson SAS. All rights reserved.