N-(3-oxobutyl)isoquinolinium p-toluenesulfonate | 1452593-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-(3-oxobutyl)isoquinolinium p-toluenesulfonate
• CAS: 1452593-20-2
• 化学式: C₇H₇O₃S*C₁₃H₁₄NO
• 分子量: 371.457
• InChiKey: HGVMVEGLAOQHPW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.15
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-[2-(2-methyl-[1,3]dioxolan-2-yl)ethyl]isoquinolinium p-toluenesulfonate 在 对甲苯磺酸 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 10.0h， 以69%的产率得到N-(3-oxobutyl)isoquinolinium p-toluenesulfonate
  参考文献：
  名称：

  Fine tuning of the pH-dependent drug release rate from polyHPMA-ellipticinium conjugates

  摘要：

  Polymer conjugates of anticancer drugs have shown high potential for assisting in cancer treatments. The pH-labile spacers allow site-specific triggered release of the drugs. We synthesized and characterized model drug conjugates with hydrazide bond-containing poly[N-(2-hydroxypropyl)methacrylamide] differing in the chemical surrounding of the hydrazone bond-containing spacer to find structure-drug release rate relationships. The conjugate selected for further studies shows negligible drug release in a pH 7.4 buffer but released 50% of the ellipticinium drug within 24 h in a pH 5.0 phosphate saline buffer. The ellipticinium drug retained the antiproliferative activity of the ellipticine. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.07.038