7-氯-n-甲基-4-喹啉胺 | 21875-67-2

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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
• 中文名称: 7-氯-n-甲基-4-喹啉胺
• 中文别名: 4-(甲基氨基)-7-氯喹啉
• 英文名称: 7-chloro-N-methylquinolin-4-amine
• 英文别名: (7-chloro-quinolin-4-yl)-methyl-amine；(7-chloro-[4]quinolyl)-methyl-amine；(7-Chlor-[4]chinolyl)-methyl-amin；7-Chlor-4-methyl-amino-chinolin
• CAS: 21875-67-2
• 化学式: C₁₀H₉ClN₂
• mdl: MFCD08706219
• 分子量: 192.648
• InChiKey: UWTWMUXPAIGYME-UHFFFAOYSA-N

物化性质

• 熔点：
  251.5-252.5℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090

反应信息

• 作为产物：
  描述：

  4,7-二氯喹啉 、 甲胺 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以90%的产率得到7-氯-n-甲基-4-喹啉胺
  参考文献：
  名称：

  一系列喹啉衍生物的合成及其体外抗结核活性

  摘要：

  合成了一系列33种喹啉衍生物，并使用Alamar Blue药敏试验评估了其对结核分枝杆菌H 37 Rv的体外抗菌活性，并以μg/ mL的最低抑菌浓度（MIC）表示了该活性。与一线药物（如乙胺丁醇）相比，化合物5e和5f分别在6.25和3.12μg/ mL处显示出显着活性，并且可能是开发新的抗多种药物耐药性先导化合物的良好起点。

  DOI：

  10.1016/j.bmc.2009.01.013

文献信息

• [EN] QUINONE REDUCTASE 2 INHIBITORS FOR USE AS NEUROPROTECTIVE AGENTS<br/>[FR] INHIBITEURS DE LA QUINONE RÉDUCTASE 2 DESTINÉS À ÊTRE UTILISÉS EN TANT QU'AGENTS NEUROPROTECTEURS
  申请人：UNIV DUKE

  公开号：WO2020081678A1

  公开（公告）日：2020-04-23

  Provided herein according to some embodiments is a method of treating acute neural injury in a subject in need thereof, comprising administering to the subject a compound of Formula I or Formula II. Also provided is a method of treating vascular dementia in a subject in need thereof, comprising administering to the subject a compound of Formula I or Formula II. Further provided is a method of treating CNS lupus in a subject in need thereof, comprising administering to the subject a compound of Formula I or Formula II.

  根据某些实施例所提供的是一种治疗急性神经损伤的方法，包括向需要的受试者施用化合物I或化合物II。还提供了一种治疗血管性痴呆的方法，包括向需要的受试者施用化合物I或化合物II。此外，还提供了一种治疗中枢神经系统红斑狼疮的方法，包括向需要的受试者施用化合物I或化合物II。
• NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION
  申请人：DREXEL UNIVERSITY

  公开号：US20160024004A1

  公开（公告）日：2016-01-28

  The present invention provides novel compounds of formula (I) and methods of use thereof. In certain embodiments, the compounds of the invention are useful as nucleocapsid assembly inhibitors. In other embodiments, the compounds of the invention are useful as pregenomic RNA encapsidation inhibitors of Hepatitis B virus (HBV). In yet other embodiments, the compounds of the invention are useful for the treatment of viral infection, including HBV and related viral infections.

  本发明提供了式(I)的新化合物及其使用方法。在某些实施例中，本发明的化合物可用作核衣壳组装抑制剂。在其他实施例中，本发明的化合物可用作乙型肝炎病毒（HBV）的前基因组RNA包装抑制剂。在其他实施例中，本发明的化合物可用于治疗病毒感染，包括HBV和相关病毒感染。
• 311. Synthetic antimalarials. Part XLI. Physicochemical studies on quinoline derivatives
  作者：J. C. Gage

  DOI：10.1039/jr9490001458

  日期：——
• Structure–activity relationships for ferriprotoporphyrin IX association and β-hematin inhibition by 4-aminoquinolines using experimental and ab initio methods
  作者：Samkele Nsumiwa、David Kuter、Sergio Wittlin、Kelly Chibale、Timothy J. Egan

  DOI：10.1016/j.bmc.2013.04.040

  日期：2013.7

  In order to probe structure-activity relationships of association with ferriprotoporphyrin IX (logK) and inhibition of beta-hematin formation, a series of 4-aminoquinolines with varying substituents at the 7-position (X) have been synthesized. These have been further elaborated by introduction of two different R groups on the 4-amino nitrogen atom in the form of methyl (R = Me) and ethylamine (R = EtNH2) side chains. Data for a previously investigated series containing an N,N-diethyl-ethylamine side chain were also compared with the findings of this study. Experimentally, logK values for the simple 4-aminoquinoline series (R = H) were found to correlate with the hydrophobicity constant (pi) of the group X. The logK values for the series with R = Me and EtNH2 were found to correlate with those of the series with R = H. The log of the 50% beta-hematin inhibitory activity (log BHIA(50)) was found to correlate with logK and either meta (sigma(m)) or para (sigma(p)) Hammett constants for the series with R = Me and EtNH2, but not the simple series with R = H. To further improve predictability, correlations with ab initio electrostatic parameters, namely Mulliken and CHelpG charges were investigated. The best correlations were found with CHelpG charges which indicated that logK values can be predicted from the charges on atom H-8 and the group X in the quinolinium species computed in vacuum, while log BHIA50 values can be predicted from the CHelpG charges on C-7, C-8 and N-1 for the neutral species in vacuum. These correlations indicate that association and inhibition of beta-hematin formation are separately determined. They also suggest that electron withdrawing groups at the 7-position, but not necessarily hydrophobic groups are required for hemozoin inhibition. The upshot is that the correlations imply that considerably more hydrophilic hemozoin inhibitors are feasible. (C) 2013 Elsevier Ltd. All rights reserved.
• WO2020081680A5
  申请人：——

  公开号：WO2020081680A5

  公开（公告）日：2022-10-24