2-nitro-N-(5-phenyl-1(2)H-pyrazol-3-yl)-benzamide | 55439-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-nitro-N-(5-phenyl-1(2)H-pyrazol-3-yl)-benzamide
• 英文别名: 2-nitro-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
• CAS: 55439-99-1
• 化学式: C₁₆H₁₂N₄O₃
• 分子量: 308.296
• InChiKey: CYVAPNOAHYLJGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  216-218 °C(Solv: ethanol (64-17-5))
• 沸点：
  505.3±45.0 °C(Predicted)
• 密度：
  1.420±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-nitro-N-(5-phenyl-1(2)H-pyrazol-3-yl)-benzamide 在 盐酸 、 氢氧化钾 、 potassium nitrite 作用下， 生成 N-(4-Diazo-5-phenyl-4H-pyrazol-3-yl)-2-nitro-benzamide
  参考文献：
  名称：

  Antimicrobial and antineoplastic activities of new 4-diazopyrazole derivatives

  摘要：

  Several new 4-diazopyrazole derivatives were prepared by the reaction of 3-methyl-5(substituted-benzamido)pyrazoles with an excess of nitrous acid in acetic acid solution. The compounds were tested for antiretroviral activity in HIV-1 infected MT-4 cells and antiproliferative effects against a panel of human leukemia, lymphoma and solid tumor cell lines. They were also tested for activity against representative gram-negative (Shigella, Salmonella) and gram-positive (S. aureus, D group Streptococcus) bacteria as well as fungi (C. albicans, C. paratropicalis, C. neoformans and A. fumigatus). Compounds were devoid of anti HIV-1 and antimicotic activities, whereas they were active against tumor cell lines, with inhibitory activity (IC50) in the range 2.4-20 mu M and bacteria. The highest microbial susceptibility was shown by gram-positive bacteria, with minimum inhibitory concentrations in the range 0.8-12.5 mu M. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80004-4
• 作为产物：
  描述：

  3-氨基-5-苯基吡唑 、 2-硝基苯甲酰氯 以86%的产率得到
  参考文献：
  名称：

  PLESCIA S.; AJELLO E.; SPRIO V., J. HETEROCYCL. CHEM. , 1975, 12, NO 1, 199-202

  摘要：

  DOI：

文献信息

• Daidone; Plescia; Raffa, Farmaco, Edizione Scientifica, 1986, vol. 41, # 5, p. 408 - 416
  作者：Daidone、Plescia、Raffa、Sprio、Milici

  DOI：——

  日期：——
• DAIDONE G.; PLESCIA S.; RAFFA D.; SPRIO V.; MILICI M., FARMACO. ED. SCI., 41,(1986) N 5, 408-416
  作者：DAIDONE G.、 PLESCIA S.、 RAFFA D.、 SPRIO V.、 MILICI M.

  DOI：——

  日期：——