potassium-1-phenylimidazo[4,5,1-kl]phenoxazine-4-sulfonate | 1428264-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: potassium-1-phenylimidazo[4,5,1-kl]phenoxazine-4-sulfonate
• CAS: 1428264-26-9
• 化学式: C₁₉H₁₁N₂O₄S*K
• 分子量: 402.472
• InChiKey: AOJBNAKXLGQLQV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.25
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  potassium-1-phenylimidazo[4,5,1-kl]phenoxazine-4-sulfonate 在 三氯氧磷 作用下， 反应 3.0h， 生成 1-phenylimidazo[4,5,1-kl]phenoxazine-4-sulfonylchloride
  参考文献：
  名称：

  Novel imidazophenoxazine-4-sulfonamides: Their synthesis and evaluation as potential inhibitors of PDE4

  摘要：

  A number of novel imidazophenoxazine-4-sulfonamides have been designed as potential inhibitors of PDE4. All these compounds were readily prepared via an elegant multi-step method involving the initial construction of 1-nitro-10H-phenoxazine ring and then fused imidazole ring as key steps. Some of these compounds showed promising PDE4B and D inhibition when tested in vitro and good interactions with these proteins in silico. Three of these compounds showed dose dependent inhibition of PDE4B with IC50 value of 3.31 +/- 0.62, 1.23 +/- 0.18 and 0.53 +/- 0.18 mu M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.023
• 作为产物：
  描述：

  氯苯 在 硫酸 、 一水合肼 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.5h， 生成 potassium-1-phenylimidazo[4,5,1-kl]phenoxazine-4-sulfonate
  参考文献：
  名称：

  Novel imidazophenoxazine-4-sulfonamides: Their synthesis and evaluation as potential inhibitors of PDE4

  摘要：

  A number of novel imidazophenoxazine-4-sulfonamides have been designed as potential inhibitors of PDE4. All these compounds were readily prepared via an elegant multi-step method involving the initial construction of 1-nitro-10H-phenoxazine ring and then fused imidazole ring as key steps. Some of these compounds showed promising PDE4B and D inhibition when tested in vitro and good interactions with these proteins in silico. Three of these compounds showed dose dependent inhibition of PDE4B with IC50 value of 3.31 +/- 0.62, 1.23 +/- 0.18 and 0.53 +/- 0.18 mu M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.023