acetic acid-(4,6-dichloro-2,3-dimethyl-anilide) | 873979-23-8

• 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: acetic acid-(4,6-dichloro-2,3-dimethyl-anilide)
• 英文别名: Essigsaeure-(4,6-dichlor-2,3-dimethyl-anilid)
• CAS: 873979-23-8
• 化学式: C₁₀H₁₁Cl₂NO
• 分子量: 232.109
• InChiKey: FYAJLADPXKSKQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  acetic acid-(4,6-dichloro-2,3-dimethyl-anilide) 在 镍 盐酸 、 氟硼酸钠 、 氨 、 氢气 、 铜 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 乙二醇甲醚 为溶剂， 25.0~180.0 ℃ 、3.3 MPa 条件下， 反应 124.0h， 生成 5-Imidazol-1-yl-6,7-dimethyl-2-pyridin-4-yl-1H-benzoimidazole
  参考文献：
  名称：

  Cardiotonic agents. Synthesis and cardiovascular properties of novel 2-arylbenzimidazoles and azabenzimidazoles

  摘要：

  Novel 2-arylbenzimidazoles and azabenzimidazoles were synthesized, and their inotropic action was evaluated. Changes in left ventricular pressure, dP/dt max, were measured as an index of cardiac contractility. The structural features that impart optimal inotropic activity are presented. The most potent compounds were evaluated orally in conscious dogs with implanted Konigsberg pressure transducers. To investigate the mechanism of action, the most potent compounds were tested for their calcium-sensitizing properties and their potential for the inhibition of phosphodiesterase. Two compounds, 1 and 4 1, showed interesting in vitro and oral activity without side effects. They have a more potent calcium-sensitizing effect than MCI-154 and are under futher investigation.

  DOI：

  10.1021/jm00101a024
• 作为产物：
  描述：

  4'-Chlor-2',3'-dimethyl-acetanilid 在 氯 、 溶剂黄146 作用下， 生成 acetic acid-(4,6-dichloro-2,3-dimethyl-anilide)
  参考文献：
  名称：

  70.乙酰邻苯二甲酰氯的氯化

  摘要：

  DOI：

  10.1039/jr9340000283