Tert-butyl 4-(pyridazin-3-yl)piperidine-1-carboxylate | 1240617-72-4

• 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: Tert-butyl 4-(pyridazin-3-yl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-pyridazin-3-ylpiperidine-1-carboxylate
• CAS: 1240617-72-4
• 化学式: C₁₄H₂₁N₃O₂
• 分子量: 263.34
• InChiKey: ZPTCODFHHVGZLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-(pyridazin-3-yl)piperidine-1-carboxylate 生成 3-(Piperidin-4-yl)pyridazine
  参考文献：
  名称：

  Potent heteroarylpiperidine and carboxyphenylpiperidine 1-alkyl-cyclopentane carboxamide CCR2 antagonists

  摘要：

  This report describes replacement of the 4-(4-fluorophenyl)piperidine moiety in our CCR2 antagonists with 4-heteroaryl piperidine and 4-(carboxyphenyl)-piperidine subunits. Some of the resulting analogs retained potency in our CCR2 binding assay and had improved selectivity versus the I-Kr channel; poor selectivity against I-Kr had been a liability of earlier analogs in this series. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.029
• 作为产物：
  描述：

  生成 Tert-butyl 4-(pyridazin-3-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  Potent heteroarylpiperidine and carboxyphenylpiperidine 1-alkyl-cyclopentane carboxamide CCR2 antagonists

  摘要：

  This report describes replacement of the 4-(4-fluorophenyl)piperidine moiety in our CCR2 antagonists with 4-heteroaryl piperidine and 4-(carboxyphenyl)-piperidine subunits. Some of the resulting analogs retained potency in our CCR2 binding assay and had improved selectivity versus the I-Kr channel; poor selectivity against I-Kr had been a liability of earlier analogs in this series. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.029