(4R)-4-methyl-3-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one | 1221499-61-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4R)-4-methyl-3-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
• CAS: 1221499-61-1
• 化学式: C₂₁H₂₃N₃O₄
• 分子量: 381.431
• InChiKey: RQODRSLLCAFVLI-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(4-氨基苯基)-4,5-二氢-5-甲基-3(2H)-哒嗪酮 在 L-酒石酸 作用下， 以 乙醇 、 异丙醇 为溶剂， 反应 6.0h， 生成 (4R)-4-methyl-3-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
  参考文献：
  名称：

  Synthesis and anti-congestive heart failure activity of novel levosimendan analogues

  摘要：

  A series of levosimendan analogues were designed and synthesized, employing the Friedel-Crafts reaction, hydrolysis, and cyclization from the key intermediate compound R(-)-6-(4-aminophenyl)-5-methyl-4, 5-dihydro-3(2H)-pyridazinone, which was obtained from the starting material, acetanilide. These compounds, except 1b, exhibited potent anti-congestive heart failure activities, especially the compounds 1e and 1k, which showed more effective action than levosimendan.

  DOI：

  10.1007/s00044-010-9319-0

文献信息

• Synthesis and anti-congestive heart failure activity of novel levosimendan analogues
  作者：Lisheng Wang、Hongxiang Zhou、Bin Yang、Zhigang Chen、Hua Yang

  DOI：10.1007/s00044-010-9319-0

  日期：2011.4

  A series of levosimendan analogues were designed and synthesized, employing the Friedel-Crafts reaction, hydrolysis, and cyclization from the key intermediate compound R(-)-6-(4-aminophenyl)-5-methyl-4, 5-dihydro-3(2H)-pyridazinone, which was obtained from the starting material, acetanilide. These compounds, except 1b, exhibited potent anti-congestive heart failure activities, especially the compounds 1e and 1k, which showed more effective action than levosimendan.