4-(3,4-dimethoxybenzylideneaminomethyl)piperidine | 247254-38-2

• 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: 4-(3,4-dimethoxybenzylideneaminomethyl)piperidine
• 英文别名: 1-(3,4-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)methanimine
• CAS: 247254-38-2
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: ACXWFPMHRWJTIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  丙烯酸 、 2-(4-((phenylamino)carbonylamino)phenyl)acetic acid 、 4-(3,4-dimethoxybenzylideneaminomethyl)piperidine 生成 3-[4-({2-[4-(3-Phenyl-ureido)-phenyl]-acetylamino}-methyl)-piperidin-1-yl]-propionic acid
  参考文献：
  名称：

  Diamine containing VLA-4 antagonists

  摘要：

  Design and synthesis of a library as potential VLA-4 antagonists has been accomplished, based around a proposed pharmacophoric model. Compounds possessing submicromolar potency were identified and structure-activity relationships were seen across the library. Further derivatisation produced compounds with IC50'S < 10 nmol for inhibiting the VLA-4 mediated binding of fibronectin to RAMOS cells, providing an ideal starting point for a lead optimisation Programme. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00132-8
• 作为产物：
  描述：

  4-氨甲基哌啶 、 3,4-二甲氧基苯甲醛 以 甲苯 为溶剂， 生成 4-(3,4-dimethoxybenzylideneaminomethyl)piperidine
  参考文献：
  名称：

  Diamine containing VLA-4 antagonists

  摘要：

  Design and synthesis of a library as potential VLA-4 antagonists has been accomplished, based around a proposed pharmacophoric model. Compounds possessing submicromolar potency were identified and structure-activity relationships were seen across the library. Further derivatisation produced compounds with IC50'S < 10 nmol for inhibiting the VLA-4 mediated binding of fibronectin to RAMOS cells, providing an ideal starting point for a lead optimisation Programme. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00132-8

文献信息

• Diamine containing VLA-4 antagonists
  作者：Peter C. Astles、Neil V. Harris、Andrew D. Morley

  DOI：10.1016/s0968-0896(01)00132-8

  日期：2001.8

  Design and synthesis of a library as potential VLA-4 antagonists has been accomplished, based around a proposed pharmacophoric model. Compounds possessing submicromolar potency were identified and structure-activity relationships were seen across the library. Further derivatisation produced compounds with IC50'S < 10 nmol for inhibiting the VLA-4 mediated binding of fibronectin to RAMOS cells, providing an ideal starting point for a lead optimisation Programme. (C) 2001 Elsevier Science Ltd. All rights reserved.