N-(4-bromo-2-fluorophenyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide | 951549-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(4-bromo-2-fluorophenyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• 英文别名: N-(4-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
• CAS: 951549-56-7
• 化学式: C₁₆H₁₃BrFNO₂
• 分子量: 350.187
• InChiKey: UITQGMFJHMEONG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-吡唑硼酸频哪醇酯 、 N-(4-bromo-2-fluorophenyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 1.0h， 生成 C₁₉H₁₆FN₃O₂
  参考文献：
  名称：

  Chroman-3-amides as potent Rho kinase inhibitors

  摘要：

  Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activity, good microsomal stability, and desirable pharmacokinetic properties for study as potential therapeutic agents. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.080
• 作为产物：
  描述：

  4-溴-2-氟苯胺 、 苯并二氢吡喃-3-羧酸 在 N-甲基吗啉 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 N-(4-bromo-2-fluorophenyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
  参考文献：
  名称：

  Chroman-3-amides as potent Rho kinase inhibitors

  摘要：

  Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activity, good microsomal stability, and desirable pharmacokinetic properties for study as potential therapeutic agents. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.080

文献信息

• Chroman-3-amides as potent Rho kinase inhibitors
  作者：Yen Ting Chen、Thomas D. Bannister、Amiee Weiser、Evelyn Griffin、Li Lin、Claudia Ruiz、Michael D. Cameron、Stephan Schürer、Derek Duckett、Thomas Schröter、Philip LoGrasso、Yangbo Feng

  DOI：10.1016/j.bmcl.2008.10.080

  日期：2008.12

  Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activity, good microsomal stability, and desirable pharmacokinetic properties for study as potential therapeutic agents. (C) 2008 Elsevier Ltd. All rights reserved.