3-(1-methyl-tropin-4-yl)-5,5-diphenyl-imidazolidine-2,4-dione | 895148-96-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 3-(1-methyl-tropin-4-yl)-5,5-diphenyl-imidazolidine-2,4-dione
• 英文别名: 3-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-5,5-diphenyl-imidazolidine-2,4-dione；3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,5-diphenylimidazolidine-2,4-dione
• CAS: 895148-96-6
• 化学式: C₂₃H₂₅N₃O₂
• 分子量: 375.47
• InChiKey: LDAPXDNKKNMTSH-UHFFFAOYSA-N

物化性质

• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(1-methyl-tropin-4-yl)-5,5-diphenyl-imidazolidine-2,4-dione 在 红铝 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 6.0h， 生成 8,8-dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-8-azonia-bicyclo[3.2.1]octane iodide
  参考文献：
  名称：

  Discovery of Diaryl Imidazolidin-2-one Derivatives, a Novel Class of Muscarinic M3 Selective Antagonists (Part 2)

  摘要：

  Synthesis and biological activity of a novel class of quaternary ammonium salt muscarinic M3 receptor antagonists, showing high selectivity versus the M2 receptor, are described. Selected compounds exhibited potent anticholinergic properties, in isolated guinea-pig trachea, and good functional selectivity for trachea over atria. In vivo, the same compounds potently inhibited acetylcholine-induced bronchoconstriction after intratracheal administration in the guinea pig.

  DOI：

  10.1021/jm061160+
• 作为产物：
  描述：

  Tropanol 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 3-(1-methyl-tropin-4-yl)-5,5-diphenyl-imidazolidine-2,4-dione
  参考文献：
  名称：

  Discovery of Diaryl Imidazolidin-2-one Derivatives, a Novel Class of Muscarinic M3 Selective Antagonists (Part 2)

  摘要：

  Synthesis and biological activity of a novel class of quaternary ammonium salt muscarinic M3 receptor antagonists, showing high selectivity versus the M2 receptor, are described. Selected compounds exhibited potent anticholinergic properties, in isolated guinea-pig trachea, and good functional selectivity for trachea over atria. In vivo, the same compounds potently inhibited acetylcholine-induced bronchoconstriction after intratracheal administration in the guinea pig.

  DOI：

  10.1021/jm061160+

文献信息

• Azole Derivatives With Antimuscarinic Activity
  申请人：Peretto Ilaria

  公开号：US20090005364A1

  公开（公告）日：2009-01-01

  The present invention relates to compounds of formula (I) wherein R1, R2, x, X, Y and B are as defined in the description for the treatment of muscarinic acetylcholine receptor mediated diseases, in particular M3 muscarinic receptor mediated diseases.

  本发明涉及式（I）的化合物，其中R1，R2，x，X，Y和B如所述的描述中所定义，用于治疗肌肉型乙酰胆碱受体介导的疾病，特别是M3肌肉型受体介导的疾病。
• WO2006/66924
  申请人：——

  公开号：——

  公开（公告）日：——