N-isopropyl-N'-(2-nitrophenyl)urea | 347907-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-isopropyl-N'-(2-nitrophenyl)urea
• 英文别名: 1-(2-Nitrophenyl)-3-(propan-2-yl)urea；1-(2-nitrophenyl)-3-propan-2-ylurea
• CAS: 347907-99-7
• 化学式: C₁₀H₁₃N₃O₃
• mdl: MFCD03208832
• 分子量: 223.232
• InChiKey: PLONQUZHJQIGCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  87
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异腈酸2-硝基苯 、 异丙胺 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以89%的产率得到N-isopropyl-N'-(2-nitrophenyl)urea
  参考文献：
  名称：

  Antiproliferative effects of novel urea derivatives against human prostate and lung cancer cells; and their inhibition of β-glucuronidase activity

  摘要：

  Twenty-one novel urea derivatives were synthesized and their structures characterized by mass, NMR, IR, and UV spectroscopy. These compounds were evaluated for their antiproliferative profile against human PC-3 (prostate) and NCI-H460 (lung) cancer cell lines. Among them, compound 21 N-(3-nitrophenyl)-N'-(1-phenylethyl)urea was found to be active against both PC-3 (IC50 +/- A SEM: 20.13 +/- A 0.91 mu M) and NCI-H460 (GI(50): 22 +/- A 2.6 mu M) cell lines; hence has the potential to be further studied as anticancer agent. These compounds were also investigated for their ability to inhibit urease, beta-glucuronidase, and phosphodiesterase enzymes. N-(2,6-Dimethylphenyl)-N'-(4'-nitrophenyl)urea (1) demonstrated 90 % inhibition of beta-glucuronidase enzyme (IC50 +/- A SEM: 3.38 +/- A 0.043 mu M).

  DOI：

  10.1007/s00044-013-0702-5

文献信息

• Perveen, Shahnaz; Mustafa, Sana; Khan, Khalid Mohammed, Journal of the Chemical Society of Pakistan, 2013, vol. 35, # 6, p. 1603 - 1611
  作者：Perveen, Shahnaz、Mustafa, Sana、Khan, Khalid Mohammed、Choudhary, Muhammad Iqbal

  DOI：——

  日期：——
• Antiproliferative effects of novel urea derivatives against human prostate and lung cancer cells; and their inhibition of β-glucuronidase activity
  作者：Shahnaz Perveen、Sana Mustafa、Kehkashan Qamar、Ahsana Dar、Khalid M. Khan、Muhammad Iqbal Choudhary、Ajmal Khan、Wolfgang Voelter

  DOI：10.1007/s00044-013-0702-5

  日期：2014.3

  Twenty-one novel urea derivatives were synthesized and their structures characterized by mass, NMR, IR, and UV spectroscopy. These compounds were evaluated for their antiproliferative profile against human PC-3 (prostate) and NCI-H460 (lung) cancer cell lines. Among them, compound 21 N-(3-nitrophenyl)-N'-(1-phenylethyl)urea was found to be active against both PC-3 (IC50 +/- A SEM: 20.13 +/- A 0.91 mu M) and NCI-H460 (GI(50): 22 +/- A 2.6 mu M) cell lines; hence has the potential to be further studied as anticancer agent. These compounds were also investigated for their ability to inhibit urease, beta-glucuronidase, and phosphodiesterase enzymes. N-(2,6-Dimethylphenyl)-N'-(4'-nitrophenyl)urea (1) demonstrated 90 % inhibition of beta-glucuronidase enzyme (IC50 +/- A SEM: 3.38 +/- A 0.043 mu M).