7-Chlor-4-ethylaminochinolin | 57662-93-8

• 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: 7-Chlor-4-ethylaminochinolin
• 英文别名: (7-chloro-quinolin-4-yl)-ethyl-amine；7-chloro-N-ethylquinolin-4-amine
• CAS: 57662-93-8
• 化学式: C₁₁H₁₁ClN₂
• mdl: MFCD11119137
• 分子量: 206.675
• InChiKey: PNCCDVAQNRKHJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-Chlor-4-chinolin 生成 7-Chlor-4-ethylaminochinolin
  参考文献：
  名称：

  MCDONALD B. G.; PROCTOR G. R., J. CHEM. SOC. PERKIN TRANS., PART I, , 1975, NO 15, 1446-1450

  摘要：

  DOI：

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。
• MATRIX FOR MALDI MASS SPECTROMETRY AND MALDIMASS SPECTROMETRY METHOD
  申请人：Shindo Mitsuru

  公开号：US20140151548A1

  公开（公告）日：2014-06-05

  Provided is a matrix for MALDI mass spectrometry that has a high ability of ionizing low-molecular-weight compounds, and makes it possible to make measurement in a negative ion mode. The matrix is a matrix for mass spectrometry that contains one or more compounds selected from the group consisting of compounds each represented by the following general formula (I), (II) or (III), and their salts thereof. In the formulae (I), (II) and (III), X and Z are each C or N; R 1 and R 5 are each selected from the group consisting of H, an alkyl group, a (substituted) aryl group, a (substituted) arylalkyl group, and a (substituted) heteroaryl group; R 2 and R 6 are each selected from the group consisting of H, an alkyl group, an alkoxyl group, an amino group, a halogen atom, a nitro group, an allyl group, a (substituted) aryl group, and a (substituted) heteroaryl group; and R 7 and R 8 are each selected from the group consisting of H and an amino group provided that a case where R 1 =R 2 =H, and a case where R 7 =R 8 =an amino group are excluded.

  提供的是一种用于MALDI质谱的矩阵，具有高能力电离低分子量化合物的能力，并使得在负离子模式下进行测量成为可能。该矩阵是一种质谱矩阵，包含从由以下通式（I）、（II）或（III）表示的化合物组成的化合物中选择的一个或多个化合物及其盐。在式（I）、（II）和（III）中，X和Z分别为C或N；R1和R5分别选择自H、烷基、（取代）芳基、（取代）芳基烷基和（取代）杂芳基组成的群；R2和R6分别选择自H、烷基、烷氧基、氨基、卤素原子、硝基、烯丙基、（取代）芳基和（取代）杂芳基组成的群；R7和R8分别选择自H和氨基，但排除R1=R2=H和R7=R8=氨基的情况。
• Structural Specificity of Chloroquine−Hematin Binding Related to Inhibition of Hematin Polymerization and Parasite Growth
  作者：Sudha Rani Vippagunta、Arnulf Dorn、Hugues Matile、Apurba K. Bhattacharjee、Jean M. Karle、William Y. Ellis、Robert G. Ridley、Jonathan L. Vennerstrom

  DOI：10.1021/jm9902180

  日期：1999.11.1

  Considerable data now support the! hypothesis that chloroquine (CQ)-hematin binding in the parasite food vacuole leads to inhibition of hemain polymerization and parasite death by hematin poisoning. To better understand the structural specificity of CQ-hematin binding, 13 CQ analogues were chosen and their hematin binding affinity, inhibition of hematin polymerization, and inhibition of parasite growth were measured. As determined by isothermal titration calorimetry (ITC-), the stoichiometry data and exothermic binding enthalpies indicated that, like CQ, these analogues bind to two or more hematin mu-oxo dimers in a cofacial pi-pi sandwich-type complex. Association constants (K-a's ranged from 0.46 to 2.9 x 10(5) M-1 compared to 4.0 x 10(5) M(-1)for CQ. Remarkably, we were not able to measure any significant interaction between hematin mu-oxo dimer and 11, the B-chloro analogue of CQ. This result indicates that the 7-chloro substituent in CQ is a critical structural determinant in its binding affinity to hematin mu-oxa dimer. Molecular modeling experiments reinforce the view that the enthalpically favorable pi-pi interaction observed in the CQ-hematin mu-oxo dimer complex derives from a favorable alignment of the out-of-plane pi-electron density in CQ and hematin Cc-ore dimer at the points of intermolecular contact. For 4-aminoquinolines related to CQ, our data suggest that, electron-withdrawing functional groups at the 7-position of the quinoline ring are required for activity against both hematin polymerization and parasite growth and that chlorine substitution at position 7 is optimal. Our results also confirm that the CQ diaminoalkyl side chain, especially the aliphatic tertiary nitrogen atom,is an important structural determinant in CQ drug resistance. For CQ analogues 1-13, the lack of correlation between K-a and hematin polymerization IC50 values suggests that other properties of the CQ-humatin mu-oxo dimer complex, rather than its association constant alone, play a role in the inhibition of hematin polymerization. However, there was a modest correlation between inhibition of hematin polymerization and inhibition of parasite growth when hematin polymerization IC50 values were normalized for hematin mu-oxo dimer binding affinities, adding further evidence that, antimalarial 4-aminoquinolines act by this mechanism.
• US9567316B2
  申请人：——

  公开号：US9567316B2

  公开（公告）日：2017-02-14
• [EN] FERROCENE DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY<br/>[FR] DÉRIVES FERROCENIQUES A ACTIVITE ANTICANCEREUSE
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2010000793A1

  公开（公告）日：2010-01-07

  La présente invention concerne des composés de formule (I) suivante : et leurs sels pharmaceutiquement acceptables, leurs isomères et mélanges d'isomères et leurs dérivés hydrosolubles, ainsi que leur procédé de préparation et leur utilisation, notamment dans le traitement du cancer.