| 130867-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 130867-02-6
• 化学式: C₁₆H₂₁N₃O₃
• 分子量: 303.361
• InChiKey: FAGVORHRDZUMMN-UONOGXRCSA-N

物化性质

• 沸点：
  527.3±50.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  94.38
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  tert-butyl 6-cyano-2,2-dimethyl-1a,7b-dihydrochromeno[3,4-b]azirine-1-carboxylate 在 硫酸 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 26.0h， 生成
  参考文献：
  名称：

  Synthesis and antihypertensive activity of 3-[(substituted-carbonyl)amino]-2H-1-benzopyrans

  摘要：

  The synthesis and antihypertensive activity of a series of novel 3-[(subtituted-carbonyl)amino]-2H-1-benzopyran-4-ols, administered orally to spontaneously hypertensive rats, are described. Optimum activity in this series was observed for compounds with branched alkyl or branched alkylamino groups flanking the carbonyl or thiocarbonyl group (21, 31-33), which were approximately equipotent to cromakalim. Replacement of the 4-hydroxyl group by hydrogen, methoxy, or amino in this series only led to a slight reduction in potency. These observations are in marked contrast to the structure-activity relationships previously found for the 4-amidobenzopyran-3-ols. The antihypertensive activity of representative compounds 15 and 33 was attenuated by preatreatment with glibenclamide, and thus these compounds may belong to the series of drugs which have been classified as potassium channel activators.

  DOI：

  10.1021/jm00087a018