pentyl 3-aminobut-2-enoate | 49814-16-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: pentyl 3-aminobut-2-enoate
• CAS: 49814-16-6
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: RJNPRCKORVFBRI-UHFFFAOYSA-N

物化性质

• 沸点：
  266.6±13.0 °C(Predicted)
• 密度：
  0.963±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  12.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  pentyl 3-aminobut-2-enoate 、 2-(3-硝基苯亚甲基)乙酰乙酸甲酯 以 乙醇 为溶剂， 反应 6.0h， 以64.2%的产率得到(+/-)-MN9202
  参考文献：
  名称：

  Synthesis and antihypertensive activity evaluation in spontaneously hypertensive rats of nitrendipine analogues

  摘要：

  The antihypertensive activity of nitrendipine analogues can be improved by properly lengthening its alkyl chain in 3- or 5-position. Nitrendipine and its seven analogues were synthesized, and their antihypertensive activities in spontaneously hypertensive rats (SHR) were evaluated by ig administration. It was found that 5-n-heptyl 3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate [(+/-)-5] exhibited the strongest antihypertensive effect amongst eight compounds. (+)-5-n-heptyl 3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate [(+)-5] was also prepared. Antihypertensive activities of (+/-)-5 and (+)-5 in SHR were compared. The results showed that (+/-)-5 and (+)-5 had a higher potency than nitrendipine, and (+)-isomer was 1.79-fold the raceme at a dose of 2 mg/kg.

  DOI：

  10.1007/s00044-010-9477-0