4-(4-isopropylpiperazine-1-carbonyl)benzaldehyde | 686721-37-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-isopropylpiperazine-1-carbonyl)benzaldehyde
• 英文别名: 1-(4-Formylbenzoyl)-4-isopropylpiperazine；4-(4-propan-2-ylpiperazine-1-carbonyl)benzaldehyde
• CAS: 686721-37-9
• 化学式: C₁₅H₂₀N₂O₂
• 分子量: 260.336
• InChiKey: DHCFHLGOZBLKNZ-UHFFFAOYSA-N

物化性质

• 沸点：
  421.6±40.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 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：

  4-(4-isopropylpiperazine-1-carbonyl)benzaldehyde 在 sodium hydrogensulfite 作用下， 以 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 反应 70.0h， 生成 (4-isopropylpiperazin-1-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
  参考文献：
  名称：

  Novel Benzamide-Based Histamine H3 Receptor Antagonists: The Identification of Two Candidates for Clinical Development

  摘要：

  The preclinical characterization of novel phenyl(piperazin-1-yl)methanones that are histamine H-3 receptor antagonists is described. The compounds described are high affinity histamine H-3 antagonists. Optimization of the physical properties of these histamine H-3 antagonists led to the discovery of several promising lead compounds, and extensive preclinical profiling aided in the identification of compounds with optimal duration of action for wake promoting activity. This led to the discovery of two development candidates for Phase I and Phase II clinical trials.

  DOI：

  10.1021/ml5005156
• 作为产物：
  描述：

  sodium hydroxy(4-(4-isopropylpiperazine-1-carbonyl)phenyl)methanesulfonate 在 sodium hydroxide 、 水 作用下， 反应 1.5h， 生成 4-(4-isopropylpiperazine-1-carbonyl)benzaldehyde
  参考文献：
  名称：

  WO2007/53427

  摘要：

  公开号：

文献信息

• Piperazinyl and diazapanyl benzamides and benzthioamides
  申请人：——

  公开号：US20040110746A1

  公开（公告）日：2004-06-10

  Substituted piperazinyl and diazepanyl benzamides and benzthioamides of formula (I), compositions containing them, and methods of making and using them to treat histamine-mediated conditions.

  公式（I）中的替代哌嗪基和二氮杂环巴豆酰胺和苯硫酰胺，包含它们的组合物以及制备和使用它们治疗组胺介导的疾病的方法。
• PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES
  申请人：Apodaca L. Richard

  公开号：US20080056991A1

  公开（公告）日：2008-03-06

  Substituted piperazinyl and diazepanyl benzamides and benzthioamides of formula (I), compositions containing them, and methods of making and using them to treat histamine-mediated conditions.

  本发明涉及公式（I）的替代哌嗪基和二氮杂环基苯甲酰胺和苯硫酰胺，包含它们的组合物以及使用它们治疗组胺介导的疾病的方法。
• NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES
  申请人：Mani S. Neelakandha

  公开号：US20070129351A1

  公开（公告）日：2007-06-07

  The present invention is directed to novel processes for the preparation of cyclopropyl-amide derivatives, useful for the treatment of disorders and conditions mediated by the histamine receptor.

  本发明涉及一种新型的环丙基酰胺衍生物制备方法，用于治疗由组胺受体介导的疾病和病状。
• SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR
  申请人：Allison Brett D.

  公开号：US20080045507A1

  公开（公告）日：2008-02-21

  Certain substituted benzamide compounds are histamine H 3 receptor modulators useful in the treatment of histamine H 3 receptor-mediated diseases.

  某些取代苯甲酰胺化合物是组胺H3受体调节剂，可用于治疗组胺H3受体介导的疾病。
• NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES
  申请人：Mani S. Neelakandha

  公开号：US20070197508A1

  公开（公告）日：2007-08-23

  The present invention is directed to novel processes for the preparation of substituted piperazinyl and diazepanyl benzamides, useful for the treatment of disorders and conditions mediated by the histamine receptor.

  本发明涉及一种新型制备取代哌嗪基和二氮杂环巴豆酰胺的方法，可用于治疗组织胺受体介导的疾病和病况。