N-(2-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide | 1410014-47-9

• 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-(2-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
• CAS: 1410014-47-9
• 化学式: C₁₆H₁₅BrN₂O₂
• 分子量: 347.211
• InChiKey: JAMBPAPEKZNBFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide 在 溶剂黄146 作用下， 生成 6-bromo-2-(chroman-3-yl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  Benzimidazole- and benzoxazole-based inhibitors of Rho kinase

  摘要：

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.095
• 作为产物：
  描述：

  苯并二氢吡喃-3-羧酸 、 4-溴邻苯二胺 在 N,N-二异丙基乙胺 、 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， 生成 N-(2-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
  参考文献：
  名称：

  Benzimidazole- and benzoxazole-based inhibitors of Rho kinase

  摘要：

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.095

文献信息

• Benzimidazole- and benzoxazole-based inhibitors of Rho kinase
  作者：E. Hampton Sessions、Yan Yin、Thomas D. Bannister、Amiee Weiser、Evelyn Griffin、Jennifer Pocas、Michael D. Cameron、Claudia Ruiz、Li Lin、Stephan C. Schürer、Thomas Schröter、Philip LoGrasso、Yangbo Feng

  DOI：10.1016/j.bmcl.2008.10.095

  日期：2008.12

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.