(2R)-2-[(4-fluoronaphthalene-1-)sulfonamido]-N-hydroxy-3-methylbutanamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2R)-2-[(4-fluoronaphthalene-1-)sulfonamido]-N-hydroxy-3-methylbutanamide
• 英文别名: (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
• 化学式: C₁₅H₁₇FN₂O₄S
• 分子量: 340.375
• InChiKey: UMBOKYASDDITHT-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氟萘-1-磺酰氯 、 Fmoc-D-缬氨酸 生成 (2R)-2-[(4-fluoronaphthalene-1-)sulfonamido]-N-hydroxy-3-methylbutanamide
  参考文献：
  名称：

  The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection

  摘要：

  A potent and selective anthrax LF inhibitor 40, (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-2-(tetrahydro-2H-pyran-4-yl)acetamide, was identified through SAR study of a high throughput screen lead. It has an IC50 of 54 nM in the enzyme assay and an IC50 of 210 nM in the macrophage cytotoxicity assay. Compound 40 is also effective in vivo in several animal model studies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.088

文献信息

• The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection
  作者：Yusheng Xiong、Judyann Wiltsie、Andrea Woods、Jian Guo、James V. Pivnichny、Wei Tang、Alka Bansal、Richard T. Cummings、Barry R. Cunningham、Arthur M. Friedlander、Cameron M. Douglas、Scott P. Salowe、Dennis M. Zaller、Edward M. Scolnick、Dennis M. Schmatz、Kenneth Bartizal、Jeffrey D. Hermes、Malcolm MacCoss、Kevin T. Chapman

  DOI：10.1016/j.bmcl.2005.10.088

  日期：2006.2

  A potent and selective anthrax LF inhibitor 40, (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-2-(tetrahydro-2H-pyran-4-yl)acetamide, was identified through SAR study of a high throughput screen lead. It has an IC50 of 54 nM in the enzyme assay and an IC50 of 210 nM in the macrophage cytotoxicity assay. Compound 40 is also effective in vivo in several animal model studies. (c) 2005 Elsevier Ltd. All rights reserved.