N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]quinolin-2-amine | 1436382-38-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]quinolin-2-amine
• 英文别名: 2-chloroquinoline；N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine
• CAS: 1436382-38-5
• 化学式: C₂₀H₂₂ClN₃
• 分子量: 339.868
• InChiKey: KIEHHWYHOAHUOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N,N-dimethyl-N'-(quinolin-2-yl)ethane-1,2-diamine 、 4-氯苄溴 在 lithium amide 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 8.0h， 以68%的产率得到N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]quinolin-2-amine
  参考文献：
  名称：

  [EN] KINASE PROTEIN BINDING INHIBITORS
  [FR] INHIBITEURS DE LA LIAISON À UNE PROTÉINE KINASE

  摘要：

  这项发明涉及蛋白结合抑制剂化合物及其识别和使用方法。该发明还涉及制药组合物和治疗细胞增殖性疾病，特别是癌症的方法。

  公开号：

  WO2013074517A1

文献信息

• Design, synthesis, and biological evaluation of novel FAK scaffold inhibitors targeting the FAK–VEGFR3 protein–protein interaction
  作者：Priyanka N. Gogate、Manivannan Ethirajan、Elena V. Kurenova、Andrew T. Magis、Ravindra K. Pandey、William G. Cance

  DOI：10.1016/j.ejmech.2014.04.041

  日期：2014.6

  Focal adhesion kinase (FAK) and vascular endothelial growth factor receptor 3 (VEGFR3) are tyrosine kinases, which function as key modulators of survival and metastasis signals in cancer cells. Previously, we reported that small molecule chlorpyramine hydrochloride (C4) specifically targets the interaction between FAK and VEGFR3 and exhibits anti-tumor efficacy. In this study, we designed and synthesized a series of 1 (C4) analogs on the basis of structure activity relationship and molecular modeling. The resulting new compounds were evaluated for their binding to the FAT domain of FAK and anti-cancer activity. Amongst all tested analogs, compound 29 augmented anti-proliferative activity in multiple cancer cell lines with stronger binding to the FAT domain of FAK and disrupted the FAK-VEGFR3 interaction. In conclusion, we hope that this work will contribute to further studies of more potent and selective FAK-VEGFR3 protein-protein interaction inhibitors.
• KINASE PROTEIN BINDING INHIBITORS
  申请人：ROSWELL PARK CANCER INSTITUTE

  公开号：US20150051245A1

  公开（公告）日：2015-02-19

  The invention relates to protein binding inhibitor compounds and methods of identifying and using them. The invention further relates to pharmaceutical compositions and methods for treating cell proliferative disorders, especially cancer.
• US9394253B2
  申请人：——

  公开号：US9394253B2

  公开（公告）日：2016-07-19
• [EN] KINASE PROTEIN BINDING INHIBITORS<br/>[FR] INHIBITEURS DE LA LIAISON À UNE PROTÉINE KINASE
  申请人：ROSWELL PARK CANCER INST

  公开号：WO2013074517A1

  公开（公告）日：2013-05-23

  The invention relates to protein binding inhibitor compounds and methods of identifying and using them. The invention further relates to pharmaceutical compositions and methods for treating cell proliferative disorders, especially cancer.

  这项发明涉及蛋白结合抑制剂化合物及其识别和使用方法。该发明还涉及制药组合物和治疗细胞增殖性疾病，特别是癌症的方法。