(6-Bromo-pyridin-2-ylmethyl)-cyclohexylmethyl-(2-trifluoromethyl-benzyl)-amine | 958880-85-8

• 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: (6-Bromo-pyridin-2-ylmethyl)-cyclohexylmethyl-(2-trifluoromethyl-benzyl)-amine
• 英文别名: N-[(6-bromopyridin-2-yl)methyl]-1-cyclohexyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
• CAS: 958880-85-8
• 化学式: C₂₁H₂₄BrF₃N₂
• 分子量: 441.334
• InChiKey: ZCXLDELXAVJRLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (6-Bromo-pyridin-2-ylmethyl)-cyclohexylmethyl-(2-trifluoromethyl-benzyl)-amine 、 2,3-二甲基苯胺 在 tris(dibenzylideneacetone)dipalladium (0) 、 1,3-双(二苯基膦)丙烷 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以73%的产率得到(6-{[Cyclohexylmethyl-(2-trifluoromethyl-benzyl)-amino]-methyl}-pyridin-2-yl)-(2,3-dimethyl-phenyl)-amine
  参考文献：
  名称：

  Optimization of 2-aminothiazole derivatives as CCR4 antagonists

  摘要：

  A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [I-125]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.126
• 作为产物：
  描述：

  2-溴-6-甲基吡啶 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 48.0h， 生成 (6-Bromo-pyridin-2-ylmethyl)-cyclohexylmethyl-(2-trifluoromethyl-benzyl)-amine
  参考文献：
  名称：

  Optimization of 2-aminothiazole derivatives as CCR4 antagonists

  摘要：

  A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [I-125]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.126

文献信息

• Optimization of 2-aminothiazole derivatives as CCR4 antagonists
  作者：Xuemei Wang、Feng Xu、Qingge Xu、Hossen Mahmud、Jonathan Houze、Liusheng Zhu、Michelle Akerman、George Tonn、Liang Tang、Brian E. McMaster、Daniel J. Dairaghi、Thomas J. Schall、Tassie L. Collins、Julio C. Medina

  DOI：10.1016/j.bmcl.2006.01.126

  日期：2006.5

  A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [I-125]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists. (C) 2006 Elsevier Ltd. All rights reserved.