3-Oxo-butyric acid 4-cyclohexylpiperazide | 111127-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-Oxo-butyric acid 4-cyclohexylpiperazide
• 英文别名: 1-(4-cyclohexylpiperazin-1-yl)butane-1,3-dione
• CAS: 111127-16-3
• 化学式: C₁₄H₂₄N₂O₂
• 分子量: 252.357
• InChiKey: POWARNBUVZZCMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  402.1±40.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Oxo-butyric acid 4-cyclohexylpiperazide 、 3,4-二氯苯甲醛 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Dihydropyrazolopyrimidine Inhibitors of KV1.5 (IKur)

  摘要：

  A series of dihydropyrazolopyrimidine inhibitors of K(V)1.5 (I-Kur) have been identified. The synthesis, structure-activity relationships and selectivity against several other ion channels are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.099
• 作为产物：
  描述：

  1-环己基哌嗪 、 乙酰乙酸叔丁酯 以 甲苯 为溶剂， 生成 3-Oxo-butyric acid 4-cyclohexylpiperazide
  参考文献：
  名称：

  Dihydropyrazolopyrimidine Inhibitors of KV1.5 (IKur)

  摘要：

  A series of dihydropyrazolopyrimidine inhibitors of K(V)1.5 (I-Kur) have been identified. The synthesis, structure-activity relationships and selectivity against several other ion channels are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.099

文献信息

• Circulation-active substituted 1,4-dihydropyridine-3-carboxylic acid
  申请人：Bayer Aktiengesellschaft

  公开号：US04753936A1

  公开（公告）日：1988-06-28

  1,4-Dihydropyridine-3-carboxylic acid piperazides of the formula ##STR1## in which R.sup.1 is CN or alkyl, preferably methyl, R.sup.2 is H, CN, NO.sub.2 or preferably carboxyalkyl, R.sup.3 is aryl or heterocyclic, and R.sup.4 is alkyl, cycloalkyl, aryl or an acyl radical, and physiologically acceptable salts thereof, are circulation active. Novel intermediates are also provided.

  公式为##STR1##的1,4-二氢吡啶-3-羧酸哌嗪衍生物，其中R.sup.1为CN或烷基，最好是甲基，R.sup.2为H，CN，NO.sub.2或最好是羧基烷基，R.sup.3为芳基或杂环基，R.sup.4为烷基，环烷基，芳基或酰基基团，以及其生理上可接受的盐，具有循环活性。还提供了新的中间体。
• Dihydropyrazolopyrimidine Inhibitors of KV1.5 (IKur)
  作者：Wayne Vaccaro、Tram Huynh、John Lloyd、Karnail Atwal、Heather J. Finlay、Paul Levesque、Mary Lee Conder、Tonya Jenkins-West、Hong Shi、Lucy Sun

  DOI：10.1016/j.bmcl.2008.10.099

  日期：2008.12

  A series of dihydropyrazolopyrimidine inhibitors of K(V)1.5 (I-Kur) have been identified. The synthesis, structure-activity relationships and selectivity against several other ion channels are described. (C) 2008 Elsevier Ltd. All rights reserved.