1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-(S)-1-piperidin-3-ylmethyl-urea | 697224-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-(S)-1-piperidin-3-ylmethyl-urea
• 英文别名: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(3S)-piperidin-3-yl]methyl]urea
• CAS: 697224-71-8
• 化学式: C₁₇H₂₅N₇O
• 分子量: 343.432
• InChiKey: XABAASFDNSXIQW-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  96.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲苯-4-磺酸2-(4-氟苯基)乙酯 、 1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-(S)-1-piperidin-3-ylmethyl-urea 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(R)-1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-3-ylmethyl}-urea
  参考文献：
  名称：

  N-Arylalkylpiperidine urea derivatives as CC chemokine receptor-3 (CCR3) antagonists

  摘要：

  The synthesis and structure-activity relationships of N-arylalkylpiperidylmethyl ureas as antagonists of the CC chemokine receptor-3 (CCR3) are presented. These compounds displayed potent binding to the receptor as well as functional antagonism of eotaxin-elicited effects on eosinophils. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.006
• 作为产物：
  描述：

  phenyl 3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenylcarbamate 在 盐酸 、 三乙胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-(S)-1-piperidin-3-ylmethyl-urea
  参考文献：
  名称：

  N-Arylalkylpiperidine urea derivatives as CC chemokine receptor-3 (CCR3) antagonists

  摘要：

  The synthesis and structure-activity relationships of N-arylalkylpiperidylmethyl ureas as antagonists of the CC chemokine receptor-3 (CCR3) are presented. These compounds displayed potent binding to the receptor as well as functional antagonism of eotaxin-elicited effects on eosinophils. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.006

文献信息

• N-Arylalkylpiperidine urea derivatives as CC chemokine receptor-3 (CCR3) antagonists
  作者：Douglas G. Batt、Gregory C. Houghton、John Roderick、Joseph B. Santella、Dean A. Wacker、Patricia K. Welch、Yevgeniya I. Orlovsky、Eric A. Wadman、James M. Trzaskos、Paul Davies、Carl P. Decicco、Percy H. Carter

  DOI：10.1016/j.bmcl.2004.11.006

  日期：2005.2

  The synthesis and structure-activity relationships of N-arylalkylpiperidylmethyl ureas as antagonists of the CC chemokine receptor-3 (CCR3) are presented. These compounds displayed potent binding to the receptor as well as functional antagonism of eotaxin-elicited effects on eosinophils. (C) 2004 Elsevier Ltd. All rights reserved.