1-(1-Benzylpiperidin-4-yl)-3-methylbutan-2-amine | 617714-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(1-Benzylpiperidin-4-yl)-3-methylbutan-2-amine
• 英文别名: 1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
• CAS: 617714-18-8
• 化学式: C₁₇H₂₈N₂
• 分子量: 260.423
• InChiKey: RSHRKOWMXDRPIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  对甲基苯甲酰氯 、 1-(1-Benzylpiperidin-4-yl)-3-methylbutan-2-amine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-[1-(1-Benzyl-piperidin-4-ylmethyl)-2-methyl-propyl]-4-methyl-benzamide
  参考文献：
  名称：

  Design and synthesis of novel CCR3 antagonists

  摘要：

  As part of our investigation into the development of potent CCR3 antagonists, a series of piperidine analogues was designed and prepared. Exploration of the piperidine core examined both the basicity and the location of a nitrogen, as well as conformational variants. The bicyclo-piperidine 24c was found to be the most potent inhibitor of CCR3 with an IC50 of 0.0082 muM in the binding assay and 0.0024 muM in the chemotaxis assay. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0960-894x(03)00748-0
• 作为产物：
  描述：

  4-哌啶酮 在 platinum(IV) oxide 重铬酸吡啶 、 氢气 、 ammonium formate 、 sodium hydride 、 二异丁基氢化铝 、 sodium cyanoborohydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， 生成 1-(1-Benzylpiperidin-4-yl)-3-methylbutan-2-amine
  参考文献：
  名称：

  Design and synthesis of novel CCR3 antagonists

  摘要：

  As part of our investigation into the development of potent CCR3 antagonists, a series of piperidine analogues was designed and prepared. Exploration of the piperidine core examined both the basicity and the location of a nitrogen, as well as conformational variants. The bicyclo-piperidine 24c was found to be the most potent inhibitor of CCR3 with an IC50 of 0.0082 muM in the binding assay and 0.0024 muM in the chemotaxis assay. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0960-894x(03)00748-0

文献信息

• Design and synthesis of novel CCR3 antagonists
  作者：Leyi Gong、J.Heather Hogg、James Collier、Robert S. Wilhelm、Carol Soderberg

  DOI：10.1016/s0960-894x(03)00748-0

  日期：2003.10

  As part of our investigation into the development of potent CCR3 antagonists, a series of piperidine analogues was designed and prepared. Exploration of the piperidine core examined both the basicity and the location of a nitrogen, as well as conformational variants. The bicyclo-piperidine 24c was found to be the most potent inhibitor of CCR3 with an IC50 of 0.0082 muM in the binding assay and 0.0024 muM in the chemotaxis assay. (C) 2003 Published by Elsevier Ltd.