5-chloro-N-[1-[[4-(hydroxymethyl)phenyl]methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide | 1373162-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 5-chloro-N-[1-[[4-(hydroxymethyl)phenyl]methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
• CAS: 1373162-39-0
• 化学式: C₂₀H₁₈ClN₃O₄S₂
• 分子量: 463.966
• InChiKey: LWJXGNZUXMJONG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-chloro-N-[4-(methyloxy)-1H-indazol-3-yl]-N-({[2-(trimethylsilyl)ethyl]oxy}methyl)-2-thiophenesulfonamide 在 四丁基氟化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-chloro-N-[1-[[4-(hydroxymethyl)phenyl]methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
  参考文献：
  名称：

  Lead optimisation of the N1 substituent of a novel series of indazole arylsulfonamides as CCR4 antagonists and identification of a candidate for clinical investigation

  摘要：

  Synthesis and preliminary SAR of the N1 substituent of a novel series of indazole sulfonamide chemokine receptor 4 (CCR4) antagonist is reported. Compound 7r was identified for further development. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.104

文献信息

• Lead optimisation of the N1 substituent of a novel series of indazole arylsulfonamides as CCR4 antagonists and identification of a candidate for clinical investigation
  作者：Panayiotis A. Procopiou、Alison J. Ford、Rebecca H. Graves、David A. Hall、Simon T. Hodgson、Yannick M.L. Lacroix、Deborah Needham、Robert J. Slack

  DOI：10.1016/j.bmcl.2012.02.104

  日期：2012.4

  Synthesis and preliminary SAR of the N1 substituent of a novel series of indazole sulfonamide chemokine receptor 4 (CCR4) antagonist is reported. Compound 7r was identified for further development. (C) 2012 Elsevier Ltd. All rights reserved.