咪达那新杂质 | 212756-27-9

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 咪达那新杂质
• 英文名称: 4-(2-Ethylimidazol-1-yl)-2,2-diphenylbutanamide
• CAS: 212756-27-9
• 化学式: C₂₁H₂₃N₃O
• 分子量: 333.433
• InChiKey: KJIUYOWIHUZEIV-UHFFFAOYSA-N

物化性质

• 沸点：
  584.9±50.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  咪达那新杂质 、 碘甲烷 以 乙醇 、 丙酮 为溶剂， 生成 4-(2-Ethyl-3-methylimidazol-3-ium-1-yl)-2,2-diphenylbutanamide;iodide
  参考文献：
  名称：

  Synthesis and antimuscarinic activity of a Series of 4-(1-Imidazolyl)-2,2-diphenylbutyramides: discovery of potent and subtype-selective antimuscarinic agents

  摘要：

  In a study directed toward the development of new, selective agents with potential utility in the treatment of altered smooth muscle contractility and tone, for example, as seen in urinary incontinence associated with bladder muscle instability, a series of 4-(1-imidazolyl)-2,2-diphenylbutyramide derivatives was prepared. These compounds were examined for M1, M-2, and M-3 muscarinic receptor subtype selectivity in isolated tissue assays. The compounds that showed potency and/or selectivity in these tests were further evaluated for in vivo anticholinergic effects on various organs and tissues, including urinary bladder, salivary gland, and eye in rats. The structure-activity relationships for the series of 4-(1-imidazolyl)-2,2-diphenylbutyramide derivatives are also discussed. This study led to the identification of 4-(2-methyl-1-imidazolyl)-2,2-diphenylbutyramide (KRP-197) as a candidate drug for the treatment of urinary bladder dysfunction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00003-6
• 作为产物：
  描述：

  二苯乙腈 在 硫酸 、 sodium amide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 咪达那新杂质
  参考文献：
  名称：

  一些咪唑鎓衍生物的设计，合成和抗毒蕈碱活性。

  摘要：

  作为寻找亚型选择性抗毒蕈碱剂的一部分，制备了一系列咪唑鎓盐衍生物。基于对M2和M3毒蕈碱受体的抗毒蕈碱活性和亚型选择性的测量，讨论了这些化合物的结构-活性关系。

  DOI：

  10.1016/s0960-894x(99)00517-x

文献信息

• Design, synthesis and antimuscarinic activity of some imidazolium derivatives
  作者：Hiroyuki Miyachi、Hiromi Kiyota、Mitsuru Segawa

  DOI：10.1016/s0960-894x(99)00517-x

  日期：1999.10

  A series of imidazolium salt derivatives was prepared as part of a search for subtype-selective antimuscarinic agents. On the basis of measurements of the antimuscarinic activity and subtype-selectivity for M2 and M3 muscarinic receptors, the structure-activity relationships of these compounds are discussed.

  作为寻找亚型选择性抗毒蕈碱剂的一部分，制备了一系列咪唑鎓盐衍生物。基于对M2和M3毒蕈碱受体的抗毒蕈碱活性和亚型选择性的测量，讨论了这些化合物的结构-活性关系。
• Synthesis and antimuscarinic activity of a Series of 4-(1-Imidazolyl)-2,2-diphenylbutyramides: discovery of potent and subtype-selective antimuscarinic agents
  作者：Hiroyuki Miyachi、Hiromi Kiyota、Hideharu Uchiki、Mitsuru Segawa

  DOI：10.1016/s0968-0896(99)00003-6

  日期：1999.6

  In a study directed toward the development of new, selective agents with potential utility in the treatment of altered smooth muscle contractility and tone, for example, as seen in urinary incontinence associated with bladder muscle instability, a series of 4-(1-imidazolyl)-2,2-diphenylbutyramide derivatives was prepared. These compounds were examined for M1, M-2, and M-3 muscarinic receptor subtype selectivity in isolated tissue assays. The compounds that showed potency and/or selectivity in these tests were further evaluated for in vivo anticholinergic effects on various organs and tissues, including urinary bladder, salivary gland, and eye in rats. The structure-activity relationships for the series of 4-(1-imidazolyl)-2,2-diphenylbutyramide derivatives are also discussed. This study led to the identification of 4-(2-methyl-1-imidazolyl)-2,2-diphenylbutyramide (KRP-197) as a candidate drug for the treatment of urinary bladder dysfunction. (C) 1999 Elsevier Science Ltd. All rights reserved.