N4-[4-[(7-chloro-4-quinolyl)amino]butyl]-N2-(4-ethylphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine | 1454695-06-7

• 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: N4-[4-[(7-chloro-4-quinolyl)amino]butyl]-N2-(4-ethylphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
• 英文别名: 4-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
• CAS: 1454695-06-7
• 化学式: C₂₈H₃₃ClN₈O
• 分子量: 533.076
• InChiKey: OYWJUURWHQHFLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  769.2±70.0 °C(predicted)
• 密度：
  1.321±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-吗啉基-1,3,5-三嗪 在 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 N4-[4-[(7-chloro-4-quinolyl)amino]butyl]-N2-(4-ethylphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Anticancer activity of 4-aminoquinoline-triazine based molecular hybrids

  摘要：

  本研究在 60 个人类癌细胞系（NCI 60）中研究了 4-氨基喹啉-三嗪混合物的抗癌活性潜力。具有代表性的化合物在一系列细胞系中都显示出活性，并以细胞凋亡作为抑制生长的方式。

  DOI：

  10.1039/c3ra45333b

文献信息

• AMINOQUINOLINE DERIVATIVES AND USES THEREOF
  申请人：THE MCLEAN HOSPITAL CORPORATION

  公开号：US20150023930A1

  公开（公告）日：2015-01-22

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.

  本文描述了基于氨基喹啉和氨基蒽醌的混合物，包括含有这种基于氨基喹啉和氨基蒽醌的混合物的制药组合物和药物，以及使用这种化合物诊断和/或治疗感染、神经退行性疾病或障碍、炎症、与炎症相关的疾病和障碍以及可用多巴胺激动剂治疗的疾病或障碍（如不宁腿综合征）的方法。
• Aminoquinoline derivatives and uses thereof
  申请人：UNIVERSITY OF DELHI

  公开号：US11026943B2

  公开（公告）日：2021-06-08

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegenerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.

  本文描述了基于氨基喹啉和氨基吖啶的混合物、包括这种基于氨基喹啉和氨基吖啶的混合物的药物组合物和药物，以及使用这种化合物诊断和/或治疗感染、神经退行性疾病或紊乱、炎症、炎症相关疾病和紊乱和/或可使用多巴胺激动剂治疗的疾病或紊乱（如不安腿综合征）的方法。
• 4-Aminoquinoline-Triazine-Based Hybrids with Improved<i>In Vitro</i>Antimalarial Activity Against CQ-Sensitive and CQ-Resistant Strains of<i>Plasmodium falciparum</i>
  作者：Sunny Manohar、Shabana I. Khan、Diwan S. Rawat

  DOI：10.1111/cbdd.12108

  日期：2013.5

  A systematic chemical modification in the triazine moiety covalently attached via suitable linkers to 4‐amino‐7‐chloroquinolines yielded a series of new 7‐chloro‐4‐aminoquinoline‐triazine hybrids exhibiting high in vitro activity against W2 (chloroquine‐resistant) and D6 (chloroquine‐sensitive) strains of Plasmodium falciparum without any toxicity against mammalian cell lines (Vero, LLC‐PK11, HepG2). Many of the compounds (6, 8, 10, 11, 13, 14, 16, 27, 29 and 33) showed excellent potency against chloroquine sensitive and resistant strains. In particular, compounds 6, 8, 14, 16 and 29 were found to be significantly more active than chloroquine against the chloroquine‐resistant strains (W2 clone) of P. falciparum.
• Aminoquinoline Derivatives and Uses Thereof
  申请人：The McLean Hospital Corporation

  公开号：US20220008418A1

  公开（公告）日：2022-01-13

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.
• US9567316B2
  申请人：——

  公开号：US9567316B2

  公开（公告）日：2017-02-14