N-(3-methyl-2-oxobutyl)isoquinolinium bromide | 136987-51-4

• 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-methyl-2-oxobutyl)isoquinolinium bromide
• 英文别名: 1-isoquinolin-2-ium-2-yl-3-methylbutan-2-one;bromide
• CAS: 136987-51-4
• 化学式: Br*C₁₄H₁₆NO
• 分子量: 294.191
• InChiKey: KYFXMQPXFJESHV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.64
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.95
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  异喹啉 、 1-溴-3-甲基-2-丁酮 以 丙酮 为溶剂， 反应 3.0h， 以77%的产率得到N-(3-methyl-2-oxobutyl)isoquinolinium bromide
  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

文献信息

• Lodha; Saxena; Saxena, Journal of the Indian Chemical Society, 1991, vol. 68, # 2, p. 99 - 100
  作者：Lodha、Saxena、Saxena

  DOI：——

  日期：——