N-(2-氨基乙基)-2-甲基苯甲酰胺 | 953717-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-氨基乙基)-2-甲基苯甲酰胺
• 英文名称: N-(o-toluyl)-ethylenediamine
• 英文别名: N-(2-Aminoethyl)-2-methylbenzamide
• CAS: 953717-12-9
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: OEIGMXAHEGQPSM-UHFFFAOYSA-N

物化性质

• 沸点：
  347.6±35.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-氨基乙基)-2-甲基苯甲酰胺 以 异丙醇 为溶剂， 生成 3-[β-(o-toluylamino)-ethyl]-amino-2-hydroxy-1-phenoxypropane
  参考文献：
  名称：

  Phenoxyalkanolamine derivatives

  摘要：

  一系列新颖的苯氧烷醇胺衍生物的一般化学式如下：其中 R.sub.1、R.sub.2 和 R.sub.3 可相同也可不同，可以是氢、1至2个碳原子的烷基、甲氧基、卤素、硝基、氨基或酰胺基团，以及它们的盐。描述了它们的合成方法。这些化合物是高活性的β1-特异性交感兴奋剂，具有部分拮抗成分。

  公开号：

  US04356322A1
• 作为产物：
  描述：

  对甲苯甲酸 、 乙二胺 在 N,N'-羰基二咪唑 、 哌嗪盐酸盐水合物 、 sodium chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 5.58h， 生成 N-(2-氨基乙基)-2-甲基苯甲酰胺
  参考文献：
  名称：

  Expanding the structural diversity of Bcr-Abl inhibitors: Dibenzoylpiperazin incorporated with 1H-indazol-3-amine

  摘要：

  A series of N,N'-dibenzoylpiperazine derivatives incorporated with 1H-indazol-3-amine have been designed, synthesized and evaluated as novel Bcr-Abl inhibitors. Several title compounds exhibited potent inhibitory activity against Bcr-Abl wild type as well as T315I mutant. Two compounds, ha and 12c, strongly suppressed the activity of native and mutant Bcr-Abl. In particular, ha exhibited comparable potency with that of Imatinib. It potently inhibited both Bcr-Abl(WT) and Bcr-AbI(T3151) with IC50 values of 0.014 mu M and 0.45 mu M, respectively. Furthermore, compound ha also inhibited the proliferation of K562 leukemia cancer cells. Therefore, it could serve as promising lead compound for further optimization of Bcr-Abl(WT) and Bcr-Abl(T3151) inhibitors. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.09.034

文献信息

• ALKYL 3-((2-AMIDOETHYL)AMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE ANALOGS AS SELECTIVE M1 AGONISTS AND METHODS OF MAKING AND USING SAME
  申请人：Conn P. Jeffrey

  公开号：US20110172227A1

  公开（公告）日：2011-07-14

  In one aspect, the invention relates to compounds having a general structure: which are useful as selective allosteric or bitopic agonists of the M 1 muscarinic receptor; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds, for example, in treating neurodegenerative diseases, including Alzheimer's Disease. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，该发明涉及具有一般结构的化合物： 这些化合物可用作M1-肌胆碱受体的选择性变构或双拓扑激动剂；制备这些化合物的合成方法；包括这些化合物的药物组合物；以及使用这些化合物的方法，例如，在治疗神经退行性疾病，包括阿尔茨海默病。本摘要旨在作为在特定领域进行搜索的扫描工具，并不意味着对本发明的限制。
• Expanding the structural diversity of Bcr-Abl inhibitors: Hybrid molecules based on GNF-2 and Imatinib
  作者：Xiaoyan Pan、Jinyun Dong、Ruili Shao、Ping Su、Yaling Shi、Jinfeng Wang、Langchong He

  DOI：10.1016/j.bmcl.2015.08.013

  日期：2015.10

  In order to expand the structural diversity of Bcr-Abl inhibitors, twenty hybrids (series E and P) have been synthesized and characterized based on Imatinib and GNF-2. Their biological activities were evaluated in vitro against human leukemia cells. Most compounds exhibited potent antiproliferative activity against K562 cells, especially for compounds E4, E5 and E7. Furthermore, these new hybrids were also screened for Abl kinase inhibitory activity, and some of them inhibited Abl kinase with low micromolar IC50 values. In particular, compound P3 displayed the most potent activity with IC50 value of 0.017 mu M comparable with that of Imatinib. Molecular docking studies indicated that these novel hybrids fitted well with the active site of Bcr-Abl. These results suggested the great potential of these compounds as novel Bcr-Abl inhibitors. (C) 2015 Elsevier Ltd. All rights reserved.
• Continued optimization of the MLPCN probe ML071 into highly potent agonists of the hM1 muscarinic acetylcholine receptor
  作者：Bruce J. Melancon、Rocco D. Gogliotti、James C. Tarr、Sam A. Saleh、Brian A. Chauder、Evan P. Lebois、Hyekyung P. Cho、Thomas J. Utley、Douglas J. Sheffler、Thomas M. Bridges、Ryan D. Morrison、J. Scott Daniels、Colleen M. Niswender、P. Jeffrey Conn、Craig W. Lindsley、Michael R. Wood

  DOI：10.1016/j.bmcl.2012.03.088

  日期：2012.5

  This Letter describes the continued optimization of the MLPCN probe molecule ML071. After introducing numerous cyclic constraints and novel substitutions throughout the parent structure, we produced a number of more highly potent agonists of the M-1 mACh receptor. While many novel agonists demonstrated a promising ability to increase soluble APP alpha release, further characterization indicated they may be functioning as bitopic agonists. These results and the implications of a bitopic mode of action are presented. (C) 2012 Elsevier Ltd. All rights reserved.
• US4356322A
  申请人：——

  公开号：US4356322A

  公开（公告）日：1982-10-26
• US8697691B2
  申请人：——

  公开号：US8697691B2

  公开（公告）日：2014-04-15