2-(4-methylphenyl)ethanimidamide hydrochloride | 108168-90-7

• 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: 2-(4-methylphenyl)ethanimidamide hydrochloride
• 英文别名: 2-(4-methylphenyl)ethanamidine hydrochloride；4-methylbenzylamidine hydrochloride；methylbenzyl amidine hydrochloride；2-(4-methylphenyl)ethanimidamide;hydrochloride
• CAS: 108168-90-7
• 化学式: C₉H₁₂N₂*ClH
• 分子量: 184.669
• InChiKey: VJCXPEOOYUIMMA-UHFFFAOYSA-N

物化性质

• 熔点：
  152-154 °C(Solvent: Methanol ; Diethyl ether)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.9
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(4-methylphenyl)ethanimidamide hydrochloride 在 sodium hydride 作用下， 以 N-甲基吡咯烷酮 、 mineral oil 为溶剂， 反应 90.0h， 生成 2-(4-methylbenzyl)-9,10-dihydro-1H-phenanthro[9,10-d]imidazol-11(8H)-one
  参考文献：
  名称：

  三取代咪唑的多组分组装及其光化学环化成稠合多杂环支架

  摘要：

  通过 2-氧代醛、1,3-二羰基化合物和无环氮双亲核试剂的三组分反应，建立了通往大型且多样化的三取代咪唑库的直接途径。随后在光化学环化中探索获得的产物，产生多种咪唑稠合的多环化合物。

  DOI：

  10.1021/acs.joc.2c00475
• 作为产物：
  描述：

  对甲基苯乙腈 在 三甲基铝 ammonium chloride 作用下， 以 甲醇 、 正己烷 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-(4-methylphenyl)ethanimidamide hydrochloride
  参考文献：
  名称：

  Substituted imidazotriazinones

  摘要：

  本发明涉及新的取代咪唑三嗪酮化合物，其制备方法，以及它们用于生产药物，特别是用于改善感知能力、集中力、学习能力和/或记忆力的用途。

  公开号：

  US20020198377A1

文献信息

• Novel substituted imidazotriazinones
  申请人：Niewohner Ulrich

  公开号：US20050009822A1

  公开（公告）日：2005-01-13

  The invention relates to novel substituted imidazotriazinones, to a method for their production and to the use thereof for producing medicaments, in particular to improve perception, powers of concentration, learning capacity and/or memory retentiveness.

  本发明涉及新型取代咪唑三嗪酮，以及它们的制备方法和用于制备药物的用途，特别是用于改善感知、注意力、学习能力和/或记忆保持力。
• Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists
  申请人：Andrews Mark

  公开号：US20100113422A1

  公开（公告）日：2010-05-06

  The present invention provides a compound of formula (I): or a pharmaceutically acceptable salt thereof wherein the variables R 1 , R 2 , R 3a , R 3b , R 3b , R 3d , and R 100 are as defined herein. The invention is also directed to pharmaceutical compositions comprising the compounds of formula (I) and methods of treating a 5-HT 2c receptor-mediated disorders with a compound of formula (I) or a pharmaceutical composition comprising a compound of formula (I).

  本发明提供了式（I）的化合物：或其药学上可接受的盐，其中变量R1、R2、R3a、R3b、R3b、R3d和R100如本文所定义。本发明还涉及包括式（I）化合物的制药组合物，以及使用式（I）的化合物或包括式（I）的制药组合物治疗5-HT2c受体介导的疾病的方法。
• Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists
  申请人：Pfizer Inc

  公开号：US07928099B2

  公开（公告）日：2011-04-19

  The present invention provides a compound of formula (I): or a pharmaceutically acceptable salt thereof wherein the variables R1, R2, R3a, R3b, R3b, R3d, and R100 are as defined herein. The invention is also directed to pharmaceutical compositions comprising the compounds of formula (I) and methods of treating a 5-HT2c receptor-mediated disorders with a compound of formula (I) or a pharmaceutical composition comprising a compound of formula (I).

  本发明提供一种式子(I)的化合物或其药学上可接受的盐，其中变量R1、R2、R3a、R3b、R3b、R3d和R100的定义如本文所述。本发明还涉及包含式子(I)化合物的药物组合物以及使用式子(I)化合物或包含式子(I)化合物的药物组合物治疗5-HT2c受体介导的疾病的方法。
• WO2008/117169
  申请人：——

  公开号：——

  公开（公告）日：——
• Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: Design, synthesis, and evaluation of PF-3246799 as a treatment for urinary incontinence
  作者：Mark D. Andrews、Paul V. Fish、Julian Blagg、Tiffini K. Brabham、Paul E. Brennan、Alison Bridgeland、Alan D. Brown、Peter J. Bungay、Kelly M. Conlon、Nicholas J. Edmunds、Kerry af Forselles、Colleen P. Gibbons、Martin P. Green、Giles Hanton、Mark Holbrook、Alan S. Jessiman、Karin McIntosh、Gordon McMurray、Carly L. Nichols、James A. Root、R. Ian Storer、Michael R. Sutton、Robin V. Ward、Dominique Westbrook、Gavin A. Whitlock

  DOI：10.1016/j.bmcl.2010.11.120

  日期：2011.5

  New pyrimido[4,5-d]azepines 7 are disclosed as potent 5-HT2C receptor agonists. A preferred example, 7b had minimal activation at either the 5-HT2A or 5-HT2B receptors combined with robust efficacy in a preclinical canine model of stress urinary incontinence (SUI) and attractive pharmacokinetic and safety properties. Based on this profile, 7b (PF-3246799) was identified as a candidate for clinical development for the treatment of SUI. In addition, it proved to be critical to build an understanding of the translation between recombinant cell-based systems, native tissue preparations and in vivo preclinical models. This was a significant undertaking and proved to be crucial in compound selection. (C) 2010 Elsevier Ltd. All rights reserved.