| 1006867-00-0

• CAS: 1006867-00-0
• 化学式: C₂₆H₃₆N₄O₄
• 分子量: 468.596
• InChiKey: ZXMVRAPZCQASNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  90.98
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 碘代三甲硅烷 作用下， 以 乙腈 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Development of CXCR3 antagonists. Part 3: Tropenyl and homotropenyl-piperidine urea derivatives

  摘要：

  The optimization of a series of 1-aryl-3-piperidinyl urea derivatives is described in which incorporation of tropenyl and homotropenyl moieties has led to significant improvements in activity and drug-like properties. Replacement of the central piperidine with an exo-tropanyl unit led to the identification of compound 15 which provides a combination of excellent potency against human and murine receptors, drug-like properties and pharmacokinetics, thus providing a valuable tool for the evaluation of CXCR3 antagonists in models of human disease. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.109
• 作为产物：
  描述：

  、 在 4 A molecular sieve 、 三乙酰氧基硼氢化钠 作用下， 生成
  参考文献：
  名称：

  Development of CXCR3 antagonists. Part 3: Tropenyl and homotropenyl-piperidine urea derivatives

  摘要：

  The optimization of a series of 1-aryl-3-piperidinyl urea derivatives is described in which incorporation of tropenyl and homotropenyl moieties has led to significant improvements in activity and drug-like properties. Replacement of the central piperidine with an exo-tropanyl unit led to the identification of compound 15 which provides a combination of excellent potency against human and murine receptors, drug-like properties and pharmacokinetics, thus providing a valuable tool for the evaluation of CXCR3 antagonists in models of human disease. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.109