2-(5-cyclopropyltetrazol-2-yl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)acetamide | 1010421-17-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(5-cyclopropyltetrazol-2-yl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)acetamide
• CAS: 1010421-17-6
• 化学式: C₂₉H₃₅N₇O₄S
• 分子量: 577.707
• InChiKey: HUNZWXMHVVITJP-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(5-Cyclopropyl-2H-1,2,3,4-tetrazol-2-YL)acetic acid 、 (R)-1-(1-(4-ethoxyphenyl)-4-phenyl-1H-imidazol-2-yl)-N-(2-(ethylsulfonyl)ethyl)ethan-1-amine 在 双(2-氧代-3-恶唑烷基)次磷酰氯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 2-(5-cyclopropyltetrazol-2-yl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)acetamide
  参考文献：
  名称：

  Design and optimization of imidazole derivatives as potent CXCR3 antagonists

  摘要：

  A series of imidazole derivatives have been designed and optimized for CXCR3 antagonism, pharmacokinetic properties, and reduced formation of glutathione conjugates. Our efforts led to the discovery of potent CXCR3 antagonists with good pharmacokinetic properties. These compounds are useful tools for in vivo studies of CXCR3 function. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.072

文献信息

• Design and optimization of imidazole derivatives as potent CXCR3 antagonists
  作者：Xiaohui Du、Xiaoqi Chen、Jeffrey T. Mihalic、Jeffrey Deignan、Jason Duquette、An-Rong Li、Bryan Lemon、Ji Ma、Shichang Miao、Karen Ebsworth、Timothy J. Sullivan、George Tonn、Tassie L. Collins、Julio C. Medina

  DOI：10.1016/j.bmcl.2007.11.072

  日期：2008.1

  A series of imidazole derivatives have been designed and optimized for CXCR3 antagonism, pharmacokinetic properties, and reduced formation of glutathione conjugates. Our efforts led to the discovery of potent CXCR3 antagonists with good pharmacokinetic properties. These compounds are useful tools for in vivo studies of CXCR3 function. (c) 2007 Elsevier Ltd. All rights reserved.