1-acetoxy-4-acetylamino-2-nitro-benzene | 855931-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 1-acetoxy-4-acetylamino-2-nitro-benzene
• 英文别名: 1-Acetoxy-4-acetylamino-2-nitro-benzol；4-Acetamido-2-nitrophenyl-acetat；N-[4-(Acetyloxy)-2-nitrophenyl]acetamide；(4-acetamido-2-nitrophenyl) acetate
• CAS: 855931-50-9
• 化学式: C₁₀H₁₀N₂O₅
• 分子量: 238.2
• InChiKey: RJHRDPSQTDYYHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-acetoxy-4-acetylamino-2-nitro-benzene 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 72.0h， 生成 N-(4-羟基-3-硝基苯基)乙酰胺
  参考文献：
  名称：

  Synthesis and in-vitro biological activity of macrocyclic urea Chk1 inhibitors

  摘要：

  A variety of macrocyclic urea compounds were prepared as potent Chk1 inhibitors by modifying the C5 position of the benzene ring of the macrocyclic urea with ether moieties, aliphatic carbon chains, amide and halides. Enzymatic activity less than 20 nM was observed in 29 of 40 compounds. Compounds 14, 46d, and 48j provided the best overall results in the cellular assays as they abrogated doxorubicin-induced cell cycle arrest (IC50 = 3.31, 3.08, and 3.13 mu M) and enhanced doxorubicin cytotoxicity (IC50 = 0.54, 1.27, and 0.96 mu M) while displaying no single agent activity, respectively. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.088
• 作为产物：
  描述：

  2,4-二硝基苯酯 生成 1-acetoxy-4-acetylamino-2-nitro-benzene
  参考文献：
  名称：

  Jadot et al., Bulletin de la Societe Royale des Sciences de Liege, 1956, vol. 25, p. 79,84

  摘要：

  DOI：

文献信息

• Synthesis and in-vitro biological activity of macrocyclic urea Chk1 inhibitors
  作者：Gaoquan Li、Zhi-Fu Tao、Yunsong Tong、Magdalena K. Przytulinska、Peter Kovar、Philip Merta、Zehan Chen、Haiying Zhang、Thomas Sowin、Saul H. Rosenberg、Nan-Horng Lin

  DOI：10.1016/j.bmcl.2007.09.088

  日期：2007.12

  A variety of macrocyclic urea compounds were prepared as potent Chk1 inhibitors by modifying the C5 position of the benzene ring of the macrocyclic urea with ether moieties, aliphatic carbon chains, amide and halides. Enzymatic activity less than 20 nM was observed in 29 of 40 compounds. Compounds 14, 46d, and 48j provided the best overall results in the cellular assays as they abrogated doxorubicin-induced cell cycle arrest (IC50 = 3.31, 3.08, and 3.13 mu M) and enhanced doxorubicin cytotoxicity (IC50 = 0.54, 1.27, and 0.96 mu M) while displaying no single agent activity, respectively. (c) 2007 Elsevier Ltd. All rights reserved.
• Jadot et al., Bulletin de la Societe Royale des Sciences de Liege, 1956, vol. 25, p. 79,84
  作者：Jadot et al.

  DOI：——

  日期：——