2-[(2,4-dinitrophenyl)methylideneamino]-1,2-benzothiazol-3-one | 902772-41-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-[(2,4-dinitrophenyl)methylideneamino]-1,2-benzothiazol-3-one
• CAS: 902772-41-2
• 化学式: C₁₄H₈N₄O₅S
• 分子量: 344.307
• InChiKey: VLZSTVBSQRAFAO-UHFFFAOYSA-N

物化性质

• 熔点：
  243-245 °C (decomp)(Solv: ethanol (64-17-5))
• 沸点：
  562.9±60.0 °C(Predicted)
• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120.64
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2,4-二硝基苯甲醛 、 2-amino-benzo[d]isothiazol-3-one 在 盐酸 、 sodium acetate 作用下， 以 水 、 乙醇 为溶剂， 反应 1.0h， 生成 2-[(2,4-dinitrophenyl)methylideneamino]-1,2-benzothiazol-3-one
  参考文献：
  名称：

  Anti-HIV evaluation of benzo[d]isothiazole hydrazones

  摘要：

  The synthesis and the anti-HIV-1 activity of novel benzo[d]isothiazole hydrazones are reported. Target compounds tested in MT-4 cells cultures for their anti-HIV properties against wild type HIV-1 and HIV strains carrying clinically relevant mutations (EFV(R), Y181C and K103/Y181C) showed good activity against wild type HIV-1 and against the EFVR mutant. In terms of SAR the relevant result was that, in the class of benzisothiazole hydrazones, the benzo[d]isothiazol-3(2H)-one moiety (compounds 1 and 4) is an essential structural requirement for the anti-retroviral activity. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.05.030

文献信息

• Anti-HIV evaluation of benzo[d]isothiazole hydrazones
  作者：Paola Vicini、Matteo Incerti、Paolo La Colla、Roberta Loddo

  DOI：10.1016/j.ejmech.2008.05.030

  日期：2009.4

  The synthesis and the anti-HIV-1 activity of novel benzo[d]isothiazole hydrazones are reported. Target compounds tested in MT-4 cells cultures for their anti-HIV properties against wild type HIV-1 and HIV strains carrying clinically relevant mutations (EFV(R), Y181C and K103/Y181C) showed good activity against wild type HIV-1 and against the EFVR mutant. In terms of SAR the relevant result was that, in the class of benzisothiazole hydrazones, the benzo[d]isothiazol-3(2H)-one moiety (compounds 1 and 4) is an essential structural requirement for the anti-retroviral activity. (C) 2008 Elsevier Masson SAS. All rights reserved.