N-methyl-N-(4-nitrobenzyl)cyclohexanamine | 229008-41-7

• 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: N-methyl-N-(4-nitrobenzyl)cyclohexanamine
• 英文别名: N-cyclohexyl-N-methyl-N-(4-nitrobenzyl)amine；cyclohexyl-methyl-(4-nitro-benzyl)-amine；N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
• CAS: 229008-41-7
• 化学式: C₁₄H₂₀N₂O₂
• 分子量: 248.325
• InChiKey: IGFWXWRWGQBYBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methyl-N-(4-nitrobenzyl)cyclohexanamine 在 tin(ll) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 cyclohexyl-[4-(3,4-dichloro-benzoylamino)-benzyl]-dimethyl-ammonium iodide
  参考文献：
  名称：

  Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma

  摘要：

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.115
• 作为产物：
  描述：

  对硝基苯甲醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 12.0h， 生成 N-methyl-N-(4-nitrobenzyl)cyclohexanamine
  参考文献：
  名称：

  Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma

  摘要：

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.115

文献信息

• Quaternary ammonium salts and their use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06096780A1

  公开（公告）日：2000-08-01

  This invention is to provide a compound for antagonizing CCR5, said compound being represented by the formula: ##STR1## wherein R.sup.1 is an optionally substituted phenyl or an optionally substituted thienyl; Y is --CH.sub.2 --, --S-- or --O--; and R.sup.2, R.sup.3 and R.sup.4 are independently an optionally substituted aliphatic hydrocarbon group or an optionally substituted alicyclic heterocyclic ring group, and being effective for the prevention and treatment of infectious disease of HIV.

  本发明提供了一种用于拮抗CCR5的化合物，该化合物由以下通式表示：##STR1##其中R1为可选择性取代的苯基或可选择性取代的噻吩基；Y为--CH2--、--S--或--O--; R2、R3和R4各自独立地为可选择性取代的脂肪族烃基或可选择性取代的脂环族杂环环基，并且对预防和治疗HIV感染性疾病有效。
• [EN] QUATERNARY SALT CCR2 ANTAGONISTS<br/>[FR] ANTAGONISTES DE CCR2 A BASE DE SELS QUATERNAIRES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006012135A1

  公开（公告）日：2006-02-02

  Quaternary salt compounds of Formula (I) or pharmaceutically acceptable forms thereof, which are CCR2 antagonists and are useful in preventing, treating or ameliorating CCR2 mediated inflammatory syndromes, disorders or diseases in a subject in need thereof.

  Formula (I)的四价盐化合物或其药学上可接受的形式，其为CCR2拮抗剂，可用于预防、治疗或改善CCR2介导的炎症综合征、疾病或症状。
• Quaternary salt CCR2 antagonists
  申请人：Lagu Bharat

  公开号：US20060293379A1

  公开（公告）日：2006-12-28

  Quaternary salt compounds of Formula (I) or pharmaceutically acceptable forms thereof, which are CCR2 antagonists and are useful in preventing, treating or ameliorating CCR2 mediated inflammatory syndromes, disorders or diseases in a subject in need thereof.

  Formula（I）的四价盐化合物或其药用可接受形式，是CCR2拮抗剂，可用于预防、治疗或改善需要的受体中介的炎症综合征、紊乱或疾病。
• Hydrogenation of (N,N-disubstituted aminomethyl)nitrobenzenes to (N,N-disubstituted aminomethyl)anilines catalyzed by palladium–nickel bimetallic nanoparticles
  作者：Hailin Bao、Dingsheng Wang、Xinyan Wang、Chuanjie Cheng、Yadong Li、Yuefei Hu

  DOI：10.1039/c5ra07208e

  日期：——

  A Pd–Ni bimetallic nanoparticles catalyzed hydrogenation of (N,N-disubstituted aminomethyl)nitrobenzenes to (N,N-disubstituted aminomethyl)anilines was achieved chemoselectively.

  一种Pd-Ni双金属纳米颗粒催化的（N,N-二取代氨甲基）硝基苯胺加氢反应实现了对（N,N-二取代氨甲基）苯胺的化学选择性。
• SYNTHESIS OF QUATERNARY SALT COMPOUNDS
  申请人：Li Xun

  公开号：US20090112003A1

  公开（公告）日：2009-04-30

  The present invention is directed to a process, having a reduced environmental impact, for preparing phenylamino substituted quaternary salt compounds that are CCR2 antagonists.

  本发明涉及一种具有减少环境影响的过程，用于制备苯基氨基取代的季铵盐化合物，这些化合物是CCR2拮抗剂。