but-2-enyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethylamine | 189997-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: but-2-enyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethylamine
• 英文别名: N-but-2-enyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
• CAS: 189997-85-1
• 化学式: C₂₃H₃₀N₄
• 分子量: 362.518
• InChiKey: OEBUYRRGNDYATD-UHFFFAOYSA-N

物化性质

• 沸点：
  424.5±45.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  34
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  but-2-enyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethylamine 在 palladium on activated charcoal 氘 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以75%的产率得到[2H]butyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethylamine
  参考文献：
  名称：

  Synthesis and Oral Efficacy of a 4-(Butylethylamino)pyrrolo[2,3-d]pyrimidine:  A Centrally Active Corticotropin-Releasing Factor₁ Receptor Antagonist

  摘要：

  The syntheses of a centrally active nonpeptide CRF1 receptor antagonist 2, butylethyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine (CP-154,526), and its analogs 11-14 and [H-3]-2 are reported. The in vitro CRF1 receptor binding affinity in the series 2, the pharmacokinetic properties of 2 in rats, and the anxiolytic-like effects of orally administered 2 are presented.

  DOI：

  10.1021/jm960861b
• 作为产物：
  描述：

  异亚丙基丙二腈 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 磷酸 、 溶剂黄146 、 三氯氧磷 作用下， 以 二甲基亚砜 为溶剂， 反应 35.75h， 生成 but-2-enyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethylamine
  参考文献：
  名称：

  Synthesis and Oral Efficacy of a 4-(Butylethylamino)pyrrolo[2,3-d]pyrimidine:  A Centrally Active Corticotropin-Releasing Factor₁ Receptor Antagonist

  摘要：

  The syntheses of a centrally active nonpeptide CRF1 receptor antagonist 2, butylethyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine (CP-154,526), and its analogs 11-14 and [H-3]-2 are reported. The in vitro CRF1 receptor binding affinity in the series 2, the pharmacokinetic properties of 2 in rats, and the anxiolytic-like effects of orally administered 2 are presented.

  DOI：

  10.1021/jm960861b

文献信息

• Synthesis and Oral Efficacy of a 4-(Butylethylamino)pyrrolo[2,3-<i>d</i>]pyrimidine:  A Centrally Active Corticotropin-Releasing Factor₁ Receptor Antagonist
  作者：Yuhpyng L. Chen、Robert S. Mansbach、Steven M. Winter、Elizabeth Brooks、Judith Collins、Michael L. Corman、Audrey R. Dunaiskis、W. Stephen Faraci、Randall J. Gallaschun、Anne Schmidt、David W. Schulz

  DOI：10.1021/jm960861b

  日期：1997.5.1

  The syntheses of a centrally active nonpeptide CRF1 receptor antagonist 2, butylethyl[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine (CP-154,526), and its analogs 11-14 and [H-3]-2 are reported. The in vitro CRF1 receptor binding affinity in the series 2, the pharmacokinetic properties of 2 in rats, and the anxiolytic-like effects of orally administered 2 are presented.