2-oxo-oxazolidine-3-sulfonic acid [2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-amide | 1323996-26-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-oxo-oxazolidine-3-sulfonic acid [2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-amide
• CAS: 1323996-26-4
• 化学式: C₁₆H₁₆N₆O₄S₂
• 分子量: 420.473
• InChiKey: CKUNSUQWINXPCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  130.17
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-oxo-oxazolidine-3-sulfonic acid [2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-amide 、 以 乙腈 为溶剂， 生成 2-[4-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
  参考文献：
  名称：

  Pyrazole-based sulfonamide and sulfamides as potent inhibitors of mammalian 15-lipoxygenase

  摘要：

  A series of inhibitors of mammalian 15-lipoxygenase (15-LO) based on a 3,4,5-tri-substituted pyrazole scaffold is described. Replacement of a sulfonamide functionality in the lead series with a sulfamide group resulted in improved physicochemical properties generating analogs with enhanced inhibition in cell-based and whole blood assays. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.107
• 作为产物：
  描述：

  在 溶剂黄146 、 三乙胺 、 肼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-oxo-oxazolidine-3-sulfonic acid [2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-amide
  参考文献：
  名称：

  Pyrazole-based sulfonamide and sulfamides as potent inhibitors of mammalian 15-lipoxygenase

  摘要：

  A series of inhibitors of mammalian 15-lipoxygenase (15-LO) based on a 3,4,5-tri-substituted pyrazole scaffold is described. Replacement of a sulfonamide functionality in the lead series with a sulfamide group resulted in improved physicochemical properties generating analogs with enhanced inhibition in cell-based and whole blood assays. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.107

文献信息

• Pyrazolyl inhibitors of 15- lipoxygenase
  申请人：Ngu Khehyong

  公开号：US20050070589A1

  公开（公告）日：2005-03-31

  The present invention provides pyrazolyl inhibitors of 15-LO, pharmaceutical compositions containing such inhibitors and methods for treating diseases related to the 15-LO cascade using such compounds and compositions.

  本发明提供了15-LO的吡唑酰基抑制剂，含有这种抑制剂的制药组合物以及使用这种化合物和组合物治疗与15-LO级联相关的疾病的方法。