6,8-Dibromo-5-methyl-3-nitro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester | 859787-64-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 6,8-Dibromo-5-methyl-3-nitro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
• CAS: 859787-64-7
• 化学式: C₁₁H₉Br₂N₃O₄
• 分子量: 407.018
• InChiKey: HVSDORNNTFLYBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6,8-Dibromo-5-methyl-3-nitro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester 在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 ammonium hydroxide 、 potassium tert-butylate 、 氢气 作用下， 以 四氢呋喃 、 二氯甲烷 、 叔丁醇 为溶剂， 生成 6,8-Dibromo-3-(2-ethoxy-phenyl)-5-methyl-2H-2,4,4b,9-tetraaza-fluoren-1-one
  参考文献：
  名称：

  Synthesis and phosphodiesterase 5 inhibitory activity of novel pyrido[1,2-e]purin-4(3H)-one derivatives

  摘要：

  Synthesis and primary SAR of a novel series of 2-phenylpyrido[1,2-e]purin-4(3H)-one derivatives with piperazinyl sulfonamide substituents were described herein. As potential PDE5 inhibitors for erectile dysfunction (ED) treatment, representative compounds exhibit improved selectivity versus PDE1 and PDE6. Meanwhile, compound 3e demonstrated functional efficacy on rabbit corpus cavernosum strip in vitro. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.102
• 作为产物：
  描述：

  紫藤提取物 在 硫酸 、 硝酸 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 6,8-Dibromo-5-methyl-3-nitro-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and phosphodiesterase 5 inhibitory activity of novel pyrido[1,2-e]purin-4(3H)-one derivatives

  摘要：

  Synthesis and primary SAR of a novel series of 2-phenylpyrido[1,2-e]purin-4(3H)-one derivatives with piperazinyl sulfonamide substituents were described herein. As potential PDE5 inhibitors for erectile dysfunction (ED) treatment, representative compounds exhibit improved selectivity versus PDE1 and PDE6. Meanwhile, compound 3e demonstrated functional efficacy on rabbit corpus cavernosum strip in vitro. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.102