N-(2,6-Bis-dimethylamino-phenyl)-malonamic acid 2,6-diisopropyl-phenyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: N-(2,6-Bis-dimethylamino-phenyl)-malonamic acid 2,6-diisopropyl-phenyl ester
• 英文别名: [2,6-di(propan-2-yl)phenyl] 3-[2,6-bis(dimethylamino)anilino]-3-oxopropanoate
• 化学式: C₂₅H₃₅N₃O₃
• 分子量: 425.571
• InChiKey: DBAZMVZJGJPOCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙泊酚 在 sodium hydroxide 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 N-(2,6-Bis-dimethylamino-phenyl)-malonamic acid 2,6-diisopropyl-phenyl ester
  参考文献：
  名称：

  Inhibitors of acyl-CoA: cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. The synthesis and biological activity of a series of malonester amides

  摘要：

  The synthesis and structure-activity relationships of a series of malonester amide ACAT inhibitors are described. One of these compounds, 4s, was shown to be a potent inhibitor of both the intestinal and arterial enzymes, bioactive upon oral dosing (ex vivo bioassay) and efficacious in a clinically relevant rodent model of preestablished hypercholesterolemia.

  DOI：

  10.1016/0960-894x(96)00098-4

文献信息

• Inhibitors of acyl-CoA: cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. The synthesis and biological activity of a series of malonester amides
  作者：D.R. Sliskovic、J.A. Picard、W.H. Roark、A.D. Essenburg、B.R. Krause、L.L. Minton、J.F. Reindel、R.L. Stanfield

  DOI：10.1016/0960-894x(96)00098-4

  日期：1996.3

  The synthesis and structure-activity relationships of a series of malonester amide ACAT inhibitors are described. One of these compounds, 4s, was shown to be a potent inhibitor of both the intestinal and arterial enzymes, bioactive upon oral dosing (ex vivo bioassay) and efficacious in a clinically relevant rodent model of preestablished hypercholesterolemia.