4-Chloro-2,5-difluoro-N-methoxy-N-methyl-benzamide | 821808-42-8

• 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: 4-Chloro-2,5-difluoro-N-methoxy-N-methyl-benzamide
• 英文别名: Benzamide, 4-chloro-2,5-difluoro-N-methoxy-N-methyl-；4-chloro-2,5-difluoro-N-methoxy-N-methylbenzamide
• CAS: 821808-42-8
• 化学式: C₉H₈ClF₂NO₂
• 分子量: 235.618
• InChiKey: LREQYXSTAPMFMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chloro-2,5-difluoro-N-methoxy-N-methyl-benzamide 在 吡啶 作用下， 反应 144.0h， 生成 2-[6-氯-5-氟-3-(4-甲氧基-苯基)-吲唑-1-基]-乙醇
  参考文献：
  名称：

  Synthesis and Activity of Substituted 4-(Indazol-3-yl)phenols as Pathway-Selective Estrogen Receptor Ligands Useful in the Treatment of Rheumatoid Arthritis

  摘要：

  Pathway-selective ligands for the estrogen receptor (ER) inhibit NF-kappaB-mediated inflammatory gene expression causing a reduction of cytokines, chemokines, adhesion molecules, and inflammatory enzymes. SAR development of a series of 4-(indazol-3-yl)phenols has led to the identification of WAY-169916 an orally active nonsteroidal ligand with the potential use in the treatment of rheumatoid arthritis without the classical proliferative effects associated with estrogens.

  DOI：

  10.1021/jm049194+

文献信息

• Synthesis and Activity of Substituted 4-(Indazol-3-yl)phenols as Pathway-Selective Estrogen Receptor Ligands Useful in the Treatment of Rheumatoid Arthritis
  作者：Robert J. Steffan、Edward Matelan、Mark A. Ashwell、William J. Moore、William R. Solvibile、Eugene Trybulski、Christopher C. Chadwick、Susan Chippari、Thomas Kenney、Amy Eckert、Lisa Borges-Marcucci、James C. Keith、Zhang Xu、Lydia Mosyak、Douglas C. Harnish

  DOI：10.1021/jm049194+

  日期：2004.12.1

  Pathway-selective ligands for the estrogen receptor (ER) inhibit NF-kappaB-mediated inflammatory gene expression causing a reduction of cytokines, chemokines, adhesion molecules, and inflammatory enzymes. SAR development of a series of 4-(indazol-3-yl)phenols has led to the identification of WAY-169916 an orally active nonsteroidal ligand with the potential use in the treatment of rheumatoid arthritis without the classical proliferative effects associated with estrogens.