3-Oxobutanoic acid 2-<(cyclohexylphenylmethyl)methylamino>ethyl ester | 119747-12-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3-Oxobutanoic acid 2-<(cyclohexylphenylmethyl)methylamino>ethyl ester
• 英文别名: 2-[[cyclohexyl(phenyl)methyl]-methylamino]ethyl 3-oxobutanoate
• CAS: 119747-12-5
• 化学式: C₂₀H₂₉NO₃
• 分子量: 331.455
• InChiKey: TXYLZQTYNVJVMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Oxobutanoic acid 2-<(cyclohexylphenylmethyl)methylamino>ethyl ester 在 氨 作用下， 以 甲醇 为溶剂， 生成 3-Amino-2-butenoic acid 2-<(cyclohexylphenylmethyl)methylamino>ethyl ester
  参考文献：
  名称：

  New 1,4-dihydropyridine derivatives combining calcium antagonism and .alpha.-adrenolytic properties

  摘要：

  A series of twelve 1,4-dihydropyridine derivatives incorporating an alpha-adrenergic moiety in one of the ester chains was synthesized. The compounds were evaluated for their calcium antagonist activities by the inhibition of [3H]nitrendipine binding and, in vitro, on pig coronary artery. Their alpha 1- and alpha 2-adrenolytic effects were assessed from their inhibition of [3H]prazosin and [3H]yohimbine binding and, in vitro, on rat aorta and guinea pig vas deferens. Compounds 6 and 9-11 displayed strong calcium antagonist activities, identical with that of nicardipine. The moderate alpha-adrenolytic properties observed were attributed to the presence of alpha-adrenergic moieties. The four chiral derivatives 6a (R,R), 6b (S,S), 6c (S,R), and 6d (R,S) with an N-methyl-N-(benzodioxanylmethyl)amino group on the ester chain were prepared and tested as done previously. Some structure-activity relationships are discussed.

  DOI：

  10.1021/jm00126a042
• 作为产物：
  描述：

  1-cyclohexyl-N-methyl-1-phenylmethanamine 在 三乙胺 作用下， 以 甲苯 为溶剂， 生成 3-Oxobutanoic acid 2-<(cyclohexylphenylmethyl)methylamino>ethyl ester
  参考文献：
  名称：

  New 1,4-dihydropyridine derivatives combining calcium antagonism and .alpha.-adrenolytic properties

  摘要：

  A series of twelve 1,4-dihydropyridine derivatives incorporating an alpha-adrenergic moiety in one of the ester chains was synthesized. The compounds were evaluated for their calcium antagonist activities by the inhibition of [3H]nitrendipine binding and, in vitro, on pig coronary artery. Their alpha 1- and alpha 2-adrenolytic effects were assessed from their inhibition of [3H]prazosin and [3H]yohimbine binding and, in vitro, on rat aorta and guinea pig vas deferens. Compounds 6 and 9-11 displayed strong calcium antagonist activities, identical with that of nicardipine. The moderate alpha-adrenolytic properties observed were attributed to the presence of alpha-adrenergic moieties. The four chiral derivatives 6a (R,R), 6b (S,S), 6c (S,R), and 6d (R,S) with an N-methyl-N-(benzodioxanylmethyl)amino group on the ester chain were prepared and tested as done previously. Some structure-activity relationships are discussed.

  DOI：

  10.1021/jm00126a042

文献信息

• MARCINIAK, GILBERT;DELGADO, ANTONIO;LECLERC, GERARD;VELLY, JEANNE;DECKER,+, J. MED. CHEM., 32,(1989) N, C. 1402-1407
  作者：MARCINIAK, GILBERT、DELGADO, ANTONIO、LECLERC, GERARD、VELLY, JEANNE、DECKER,+

  DOI：——

  日期：——