1-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-[2-(4-nitrophenyl)ethyl]propan-2-amine | 99256-13-0

• 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: 1-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
• CAS: 99256-13-0
• 化学式: C₂₆H₂₆N₂O₃
• 分子量: 414.504
• InChiKey: GCQWEXYBVHVXCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-硝基苯乙胺 、 1-[5-Methoxy-2-(phenylethynyl)phenyl]-2-propanone 在 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 72.0h， 生成 1-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
  参考文献：
  名称：

  2-Ethynylbenzenealkanamines. A new class of calcium entry blockers

  摘要：

  A series of 2-(aryl- or alkylethynyl)benzenealkanamines were synthesized. They exhibit antihypertensive activity in spontaneously hypertensive rats and coronary vasodilator activity with minimal negative inotropic activity in the "Langendorff" guinea pig heart in vitro. They have been shown to exert their activity by inhibition of Ca2+ influx across cell membranes. Optimal activity is found among the N-(arylethyl)-5-methoxy-alpha-methyl-2-(phenylethynyl)ben zeneethanamines and -propanamines.

  DOI：

  10.1021/jm00398a023

文献信息

• CARSON, J. R.;ALMOND, H. R.;BRANNAN, M. D.;CARMOSIN, R. J.;FLAIM, S. F.;G+, J. MED. CHEM., 31,(1988) N 3, 630-636
  作者：CARSON, J. R.、ALMOND, H. R.、BRANNAN, M. D.、CARMOSIN, R. J.、FLAIM, S. F.、G+

  DOI：——

  日期：——
• 2-Ethynylbenzenealkanamines. A new class of calcium entry blockers
  作者：J. R. Carson、H. R. Almond、M. D. Brannan、R. J. Carmosin、S. F. Flaim、A. Gill、M. M. Gleason、S. L. Keely、D. W. Ludovici

  DOI：10.1021/jm00398a023

  日期：1988.3

  A series of 2-(aryl- or alkylethynyl)benzenealkanamines were synthesized. They exhibit antihypertensive activity in spontaneously hypertensive rats and coronary vasodilator activity with minimal negative inotropic activity in the "Langendorff" guinea pig heart in vitro. They have been shown to exert their activity by inhibition of Ca2+ influx across cell membranes. Optimal activity is found among the N-(arylethyl)-5-methoxy-alpha-methyl-2-(phenylethynyl)ben zeneethanamines and -propanamines.