N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methylbenzenesulfonamide | 1136473-76-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methylbenzenesulfonamide
• CAS: 1136473-76-1
• 化学式: C₂₀H₂₆N₂O₄S
• 分子量: 390.503
• InChiKey: XSGYGZFCZUJUKZ-SFHVURJKSA-N

物化性质

• 沸点：
  566.2±60.0 °C(predicted)
• 密度：
  1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  87.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[(3S)-pyrrolidin-3-yl]isoindole-1,3-dione 、 邻甲苯磺酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-2-methylbenzenesulfonamide
  参考文献：
  名称：

  N-Benzyl-3-sulfonamidopyrrolidines as novel inhibitors of cell division in E. coli

  摘要：

  A new small molecule inhibitor of bacterial cell division has been discovered using a high-throughput screen in Escherichia coli. Although the lead screening hit (534F6) exhibited modest inhibition of the GTPase activity of FtsZ (20 +/- 5% at 100 mu M of compound), a primary target for bacterial cell division inhibitors, several analogs caused potent bacterial growth inhibition with negligible antagonism of FtsZ GTPase activity. A library of analogs has been prepared and several alkyne-tagged photo-affinity probes have been synthesized for use in experiments to elucidate the primary target of this compound. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.010

文献信息

• N-Benzyl-3-sulfonamidopyrrolidines as novel inhibitors of cell division in E. coli
  作者：Shubhasish Mukherjee、Carolyn A. Robinson、Andrew G. Howe、Tali Mazor、Peter A. Wood、Sameer Urgaonkar、Alan M. Hebert、Debabrata RayChaudhuri、Jared T. Shaw

  DOI：10.1016/j.bmcl.2007.09.010

  日期：2007.12

  A new small molecule inhibitor of bacterial cell division has been discovered using a high-throughput screen in Escherichia coli. Although the lead screening hit (534F6) exhibited modest inhibition of the GTPase activity of FtsZ (20 +/- 5% at 100 mu M of compound), a primary target for bacterial cell division inhibitors, several analogs caused potent bacterial growth inhibition with negligible antagonism of FtsZ GTPase activity. A library of analogs has been prepared and several alkyne-tagged photo-affinity probes have been synthesized for use in experiments to elucidate the primary target of this compound. (c) 2007 Elsevier Ltd. All rights reserved.