VUF 4622 | 153607-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: VUF 4622
• 英文别名: Diethyl 4-[2-[5-(carbamothioylamino)pentoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 153607-50-2
• 化学式: C₂₅H₃₅N₃O₅S
• 分子量: 489.636
• InChiKey: REOBADXTHGHMAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  溴乙烷 、 VUF 4622 以 乙醇 为溶剂， 反应 8.0h， 以66%的产率得到VUF 4623
  参考文献：
  名称：

  Synthesis and in vitro pharmacology of a series of new 1,4-dihydropyridines. 2. Diethyl 4-[2-(ω-aminoalkoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates and their corresponding isothioureas as tools for determining structure-activity relationships

  摘要：

  The synthesis, in vitro calcium channel blocking activities and the affinities for the Ca2+-entry receptor protein, of a new series of diethyl 2,6-dimethyl-4-[2-(omega-substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates are discussed. Increasing the omega-substituted alkoxy chain length from pentoxy to decoxy is found not to affect the calcium channel blocking activity or affinity in both diethyl 4-[2-(omega-aminoalkoxy)phenyl]-2,6-dimethyl-1,4dihydropyridine-3,5-dicarboxylates and diethyl 2,6-dimethyl-4-[2-(omega-thiourea omega-thiouronium substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates.

  DOI：

  10.1016/0223-5234(93)90048-j
• 作为产物：
  描述：

  N-(5-溴戊基)邻苯二甲酰亚胺 在 potassium carbonate 、 一水合肼 、 溶剂黄146 、 苄胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 VUF 4622
  参考文献：
  名称：

  Synthesis and in vitro pharmacology of a series of new 1,4-dihydropyridines. 2. Diethyl 4-[2-(ω-aminoalkoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates and their corresponding isothioureas as tools for determining structure-activity relationships

  摘要：

  The synthesis, in vitro calcium channel blocking activities and the affinities for the Ca2+-entry receptor protein, of a new series of diethyl 2,6-dimethyl-4-[2-(omega-substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates are discussed. Increasing the omega-substituted alkoxy chain length from pentoxy to decoxy is found not to affect the calcium channel blocking activity or affinity in both diethyl 4-[2-(omega-aminoalkoxy)phenyl]-2,6-dimethyl-1,4dihydropyridine-3,5-dicarboxylates and diethyl 2,6-dimethyl-4-[2-(omega-thiourea omega-thiouronium substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates.

  DOI：

  10.1016/0223-5234(93)90048-j