N-甲基-1-(3-苯基甲氧基苯基)甲胺 | 214424-24-5

• 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-甲基-1-(3-苯基甲氧基苯基)甲胺
• 英文名称: N-(3-benzyloxybenzyl)methylamine
• 英文别名: 1-(3-(Benzyloxy)phenyl)-N-methylmethanamine；N-methyl-1-(3-phenylmethoxyphenyl)methanamine
• CAS: 214424-24-5
• 化学式: C₁₅H₁₇NO
• mdl: MFCD07364878
• 分子量: 227.306
• InChiKey: SBJWBJUUVJTIME-UHFFFAOYSA-N

物化性质

• 沸点：
  348.2±22.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-甲基-1-(3-苯基甲氧基苯基)甲胺 在 三氯化铝 、 硫酸 、 copper(II) sulfate 、 N,N-二甲基苯胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 3-[[4-[N-methyl-N-(3-hydroxybenzyl)amino]-2-butynyl]oxy]xanthen-9-one
  参考文献：
  名称：

  Acetylcholinesterase Inhibitors:  SAR and Kinetic Studies on ω-[N-Methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl Derivatives

  摘要：

  In this work, we further investigated a class of carbamic cholinesterase inhibitors introduced in a previous paper (Rampa et al. J. Med. Chem. 1998, 41, 3976). Some new omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl analogues were designed, synthesized, and evaluated for their inhibitory activity against both acetyleholinesterase (AChE) and butyrylcholinesterase (BuChE). The structure of the lead compound (xanthostigmine) was systematically varied with the aim to optimize the different parts of the molecule. Moreover, such a structure-activity relationships (SAR) study was integrated with a kinetic analysis of the mechanism of AChE inhibition for two representative compounds. The structural modifications lead to a compound (12b) showing an IC50 value for the AChE inhibition of 0.32 +/- 0.09 nM and to a group of BuChE inhibitors also active at the nanomolar level, the most potent of which (15d) was characterized by an IC50 value of 3.3 +/- 0.4 nM. The kinetic analysis allowed for clarification of the role played by different molecular moieties with regard to the rate of AChE carbamoylation and the duration of inhibition. On the basis of the results presented here, it was concluded that the cholinesterase inhibitors of this class possess promising characteristics in view of a potential development as drugs for the treatment of Alzheimer's disease.

  DOI：

  10.1021/jm010914b
• 作为产物：
  描述：

  3-苄氧基苯甲醛 、 甲胺 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 7.0h， 以90%的产率得到N-甲基-1-(3-苯基甲氧基苯基)甲胺
  参考文献：
  名称：

  Synthesis ofN-Methyl Secondary Amines

  摘要：

  A diverse set of N-methyl secondary amines are obtained in high yields by an expedient reductive alkylation of commercially available methanolic methylamine.

  DOI：

  10.1081/scc-120018703

文献信息

• NOVEL COMPOUNDS
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：US20140155427A1

  公开（公告）日：2014-06-05

  Compounds of formula (I) described herein are inhibitors of the phosphodiesterase 4 (PDE4) enzyme and muscarinic M3 receptor antagonists and are useful for the prevention and/or treatment of diseases of the respiratory tract characterized by airway obstruction.

  本文描述的化合物(I)的公式是磷酸二酯酶4（PDE4）酶的抑制剂和肌动蛋白M3受体拮抗剂，可用于预防和/或治疗以气道阻塞为特征的呼吸道疾病。
• Quinazoline Derivatives and Therapeutic Use Thereof
  申请人：Lee Young B.

  公开号：US20090030021A1

  公开（公告）日：2009-01-29

  Quinazoline derivatives represented by the general formula pharmacologically acceptable salts thereof, and compositions containing such compounds are described. Methods for using the compounds for treatment of hyperproliferative disorders are also disclosed.

  本发明涉及一般式所代表的喹唑啉衍生物，其药物学上可接受的盐以及含有这些化合物的组合物。还公开了使用这些化合物治疗过度增殖性疾病的方法。
• Neidigh, Kurt A.; Avery, Mitchell A.; Williamson, John S., Journal of the Chemical Society. Perkin transactions I, 1998, # 16, p. 2527 - 2531
  作者：Neidigh, Kurt A.、Avery, Mitchell A.、Williamson, John S.、Bhattacharyya, Sukanta

  DOI：——

  日期：——
• P2–P4 Macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease
  作者：Ashok Arasappan、F. George Njoroge、Kevin X. Chen、Srikanth Venkatraman、Tejal N. Parekh、Haining Gu、John Pichardo、Nancy Butkiewicz、Andrew Prongay、Vincent Madison、Viyyoor Girijavallabhan

  DOI：10.1016/j.bmcl.2006.05.022

  日期：2006.8

  Synthesis and HCV NS3 serine protease inhibitory activity of 4-hydroxyproline derived macrocyclic inhibitors and SAR around this macrocyclic core is described in this communication. X-ray structure of inhibitor 38 bound to the protease is discussed.
• PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA
  申请人：Webb Thomas R.

  公开号：US20140079666A1

  公开（公告）日：2014-03-20

  In one aspect, the invention relates to novel, broad-spectrum anti-viral, pyrimidinone compounds, methods of use, compositions and kits useful in treating and/or preventing influenza. 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.