3-(3-chlorophenylamino)-1-(5-cyclohexylpentyl)quinolinium iodide | 1268525-95-6

• 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: 3-(3-chlorophenylamino)-1-(5-cyclohexylpentyl)quinolinium iodide
• 英文别名: N-(3-chlorophenyl)-1-(5-cyclohexylpentyl)quinolin-1-ium-3-amine hydroiodide；N-(3-chlorophenyl)-1-(5-cyclohexylpentyl)quinolin-1-ium-3-amine;iodide
• CAS: 1268525-95-6
• 化学式: C₂₆H₃₂ClN₂*I
• 分子量: 534.911
• InChiKey: CAPBUCZRWMFIDJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  15.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-(iodopentyl) cyclohexane 、 3-chlorophenylquinolin-3-yl-amine 以 甲苯 为溶剂， 反应 24.0h， 以74%的产率得到3-(3-chlorophenylamino)-1-(5-cyclohexylpentyl)quinolinium iodide
  参考文献：
  名称：

  Identification of 3-phenylaminoquinolinium and 3-phenylaminopyridinium salts as new agents against opportunistic fungal pathogens

  摘要：

  Previous studies on the indoloquinoline alkaloid, cryptolepine (2), revealed that it has antii-nfective properties among other activities. Using Structure-activity relationship (SAR) techniques, several ring-opened analogs of cryptolepine (3-phenylaminopyridinium and 3-phenylaminoquinolinium derivatives) were designed to improve the potency and lower the cytotoxicity shown by several of the precursor agents. Results indicate that these ring-opened analogs constitute new anti-infective agents with over a 100-fold potency and several fold lower cytotoxicity than cryptolepine from which they are derived. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.10.065

文献信息

• Identification of 3-phenylaminoquinolinium and 3-phenylaminopyridinium salts as new agents against opportunistic fungal pathogens
  作者：Tryphon K. Mazu、Jagan R. Etukala、Xue Y. Zhu、Melissa R. Jacob、Shabana I. Khan、Larry A. Walker、Seth Y. Ablordeppey

  DOI：10.1016/j.bmc.2010.10.065

  日期：2011.1

  Previous studies on the indoloquinoline alkaloid, cryptolepine (2), revealed that it has antii-nfective properties among other activities. Using Structure-activity relationship (SAR) techniques, several ring-opened analogs of cryptolepine (3-phenylaminopyridinium and 3-phenylaminoquinolinium derivatives) were designed to improve the potency and lower the cytotoxicity shown by several of the precursor agents. Results indicate that these ring-opened analogs constitute new anti-infective agents with over a 100-fold potency and several fold lower cytotoxicity than cryptolepine from which they are derived. Published by Elsevier Ltd.