monochlorure de N,N-diethylamino-2-ethylammonium | 52872-90-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: monochlorure de N,N-diethylamino-2-ethylammonium
• 英文别名: monochlorhydrate de N,N-diethylamino-ethylamine；2-(Diethylamino)ethylazanium;chloride；2-(diethylamino)ethylazanium;chloride
• CAS: 52872-90-9
• 化学式: C₆H₁₆N₂*ClH
• 分子量: 152.667
• InChiKey: OKSWTTKPZQFGEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-8-hydroxypsoralen 、 monochlorure de N,N-diethylamino-2-ethylammonium 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 0.5h， 以94.3%的产率得到4-bromo-9-(2-(diethylamino)ethoxy)-7H-furo[3,2-g]chromen-7-one
  参考文献：
  名称：

  Synthesis, characterization and biological evaluation of fluorescent biphenyl–furocoumarin derivatives

  摘要：

  A series of new biphenyl furocoumarin derivatives were synthesized via Suzuki Miyaura reaction as a critical step. The structures were characterized by NMR, IR and HRMS. All the derivatives presented vasodilatory activity in different degree, especially 6b. Photoelectric properties of all derivatives were investigated by fluorescence, including the variation in different solvents and various pH of 6b. All the ground state molecular geometries from 6a-6j are fully optimized by Density Functional Theory (DFT) on gas phase, which was in accordance with the fluorescence detection. The results suggested cornpounds with biphenyl furocoumarin skeleton would serve as promising vasodilatory candidates as well as fluorescent indicators. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.07.011

文献信息

• Imidazolothiazole compounds for the treatment of disease
  申请人：Bhagwat Shripad

  公开号：US20070232604A1

  公开（公告）日：2007-10-04

  Compounds, compositions and methods are provided for modulating the activity of receptor kinases and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder mediated by receptor kinases.

  提供了用于调节受体激酶活性以及用于治疗、预防或改善由受体激酶介导的一种或多种疾病或紊乱症状的化合物、组合物和方法。
• Synthesis and biological evaluation of 2-amino-5-aryl-3-benzylthiopyridine scaffold based potent c-Met inhibitors
  作者：Dengyou Zhang、Xiaowei Zhang、Jing Ai、Yun Zhai、Zhongjie Liang、Ying Wang、Yi Chen、Chunpu Li、Fei Zhao、Hualiang Jiang、Meiyu Geng、Cheng Luo、Hong Liu

  DOI：10.1016/j.bmc.2013.07.032

  日期：2013.11

  2-amino-3-benzylthiopyridines against c-Met were designed by means of bioisosteric replacement and docking analysis. Optimization of the 2-amino-3-benzylthiopyridine scaffold led to the identification of compound (R)-10b displaying c-Met inhibition with an IC50 up to 7.7 nM. In the cytotoxic evaluation, compound (R)-10b effectively inhibited the proliferation of c-Met addictive human cancer cell lines

  一系列的2-氨基Ñ -benzylpyridine -3- carboxnamides，2-氨基Ñ针对c-Met的-benzylpyridine -3-磺酰胺和2-氨基-3- benzylthiopyridines通过生物电子等排更换和对接分析来设计。对2-氨基-3-苄基硫代吡啶骨架的优化导致鉴定化合物（R）-10b，其显示出c-Met抑制，IC 50高达7.7 nM。在细胞毒性评估中，化合物（R）-10b有效抑制c-Met上瘾的人类癌细胞系的增殖（IC 50从0.19到0.71μM）和c-Met激活介导的细胞转移。在100 mg / Kg的剂量下，（R）-10b明显抑制了NIH-3T3 / TPR-Met异种移植模型中的肿瘤生长（45％）。值得注意的是，（R）-10b可以克服c-Met激活介导的吉非替尼耐药性，这表明其在药物组合中的潜在用途。综上所述，首先公开了2-氨基-3-苄基硫代吡啶
• TLR7/8 ANTAGONISTS AND USES THEREOF
  申请人：Merck Patent GmbH

  公开号：US20190023687A1

  公开（公告）日：2019-01-24

  The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as TLR7/8 antagonists.

  本发明涉及具有式I的化合物及其药用可接受的组合物，用作TLR7/8拮抗剂。
• IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE
  申请人：Bhagwat Shripad

  公开号：US20120129850A1

  公开（公告）日：2012-05-24

  Compounds, compositions and methods are provided for modulating the activity of receptor kinases and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder mediated by receptor kinases.

  提供了化合物、组合物和方法，用于调节受体激酶的活性，并用于治疗、预防或减轻由受体激酶介导的一种或多种疾病或障碍的症状。
• METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE
  申请人：Bhagwat Shripad

  公开号：US20100298313A1

  公开（公告）日：2010-11-25

  Compounds, compositions and methods are provided for modulating the activity of receptor kinases and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder mediated by receptor kinases.

  本发明提供了化合物、组合物和方法，用于调节受体激酶的活性，并用于治疗、预防或改善由受体激酶介导的一种或多种疾病或障碍的症状。