1-(3-Oxo-propyl)-3-quinolin-2-yl-urea | 740840-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(3-Oxo-propyl)-3-quinolin-2-yl-urea
• 英文别名: 1-(3-oxopropyl)-3-quinolin-2-ylurea
• CAS: 740840-73-7
• 化学式: C₁₃H₁₃N₃O₂
• 分子量: 243.265
• InChiKey: UQAJINKRISDAGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Oxo-propyl)-3-quinolin-2-yl-urea 、 1-(3-aminopropyl)-3-(quinolin-2-yl)urea 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 以54%的产率得到1-quinolin-2-yl-3-[3-[3-(quinolin-2-ylcarbamoylamino)propylamino]propyl]urea
  参考文献：
  名称：

  2-Ureidoquinoline: a useful molecular element for stabilizing single cytosine and thymine bulges

  摘要：

  We have demonstrated that aromatic heterocycles having hydrogen-bonding surfaces complementary to those of nucleotide bases are effective molecular elements for the binding to single nucleotide bulges and base mismatches. We here report that a new molecule, 2-ureidoquinoline having an alignment of hydrogen-bonding groups in the order of acceptor-donor-donor stabilizes single cytosine and thymine bulges in duplex DNAs. Furthermore, a dimeric form of 2-ureidoquinoline stabilizes cytosine-cytosine and cytosine-thymine mismatches. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.075
• 作为产物：
  描述：

  1-(3,3-Diethoxy-propyl)-3-quinolin-2-yl-urea 在 溶剂黄146 作用下， 生成 1-(3-Oxo-propyl)-3-quinolin-2-yl-urea
  参考文献：
  名称：

  2-Ureidoquinoline: a useful molecular element for stabilizing single cytosine and thymine bulges

  摘要：

  We have demonstrated that aromatic heterocycles having hydrogen-bonding surfaces complementary to those of nucleotide bases are effective molecular elements for the binding to single nucleotide bulges and base mismatches. We here report that a new molecule, 2-ureidoquinoline having an alignment of hydrogen-bonding groups in the order of acceptor-donor-donor stabilizes single cytosine and thymine bulges in duplex DNAs. Furthermore, a dimeric form of 2-ureidoquinoline stabilizes cytosine-cytosine and cytosine-thymine mismatches. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.075