N5,N5-dimethyl-3-phenylisoquinolin-1,5-diamine hydrochloride | 1257215-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N5,N5-dimethyl-3-phenylisoquinolin-1,5-diamine hydrochloride
• 英文别名: 5-N,5-N-dimethyl-3-phenylisoquinoline-1,5-diamine;hydrochloride
• CAS: 1257215-84-1
• 化学式: C₁₇H₁₇N₃*ClH
• 分子量: 299.803
• InChiKey: HGYUIUDPPZLOQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 、 碳酸氢钠 、 盐酸 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 以73%的产率得到N5,N5-dimethyl-3-phenylisoquinolin-1,5-diamine hydrochloride
  参考文献：
  名称：

  Development of 3-aryl-1-isoquinolinamines as potent antitumor agents based on CoMFA

  摘要：

  Various substituted 3-aryl-1-isoquinolinamines were designed and synthesized based on the previously constructed CoMFA model. Most of the synthesized compounds showed excellent potency in eight different human tumor cell lines as expected. In order to find the exact cytotoxic mechanism of these 3-aryl-1-isoquinolinamines, we analyzed the cell cycle dynamics by flow cytometry and found that 3-aryl-1-isoquinolinamine 6k-treated HeLa cells were arrested in G2/M phase, which is related to apoptosis. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.042

文献信息

• Development of 3-aryl-1-isoquinolinamines as potent antitumor agents based on CoMFA
  作者：Su Hui Yang、Hue Thi My Van、Thanh Nguyen Le、Daulat Bikram Khadka、Suk Hee Cho、Kyung-Tae Lee、Eung-Seok Lee、Young Bok Lee、Chang-Ho Ahn、Won-Jea Cho

  DOI：10.1016/j.ejmech.2010.08.042

  日期：2010.11

  Various substituted 3-aryl-1-isoquinolinamines were designed and synthesized based on the previously constructed CoMFA model. Most of the synthesized compounds showed excellent potency in eight different human tumor cell lines as expected. In order to find the exact cytotoxic mechanism of these 3-aryl-1-isoquinolinamines, we analyzed the cell cycle dynamics by flow cytometry and found that 3-aryl-1-isoquinolinamine 6k-treated HeLa cells were arrested in G2/M phase, which is related to apoptosis. (C) 2010 Elsevier Masson SAS. All rights reserved.