4-(4-Phenylpiperazin-1-yl)butan-2-one | 111494-90-7

• 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: 4-(4-Phenylpiperazin-1-yl)butan-2-one
• CAS: 111494-90-7
• 化学式: C₁₄H₂₀N₂O
• mdl: MFCD19353448
• 分子量: 232.326
• InChiKey: YDDKYDUYJMPLEP-UHFFFAOYSA-N

物化性质

• 沸点：
  371.1±37.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-Phenylpiperazin-1-yl)butan-2-one 在 palladium on activated charcoal 盐酸 、 氢气 、 氧气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 6-Methoxy-3-methyl-3-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3,4-dihydro-benzo[1,2,4]triazine; hydrochloride
  参考文献：
  名称：

  Novelli; Sparatore, Il Farmaco, 1996, vol. 51, # 8-9, p. 551 - 558

  摘要：

  DOI：
• 作为产物：
  描述：

  N-苯基哌嗪 、 丁烯酮 以 1,4-二氧六环 为溶剂， 以79.6%的产率得到4-(4-Phenylpiperazin-1-yl)butan-2-one
  参考文献：
  名称：

  Novelli; Sparatore, Il Farmaco, 1996, vol. 51, # 8-9, p. 551 - 558

  摘要：

  DOI：

文献信息

• OXIME COMPOUNDS AND THE USE THEREOF
  申请人：Matsumura Akira

  公开号：US20090298878A1

  公开（公告）日：2009-12-03

  The invention relates to oxime compounds of Formula (I) and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X is hydrogen, optionally substituted aryl, optionally substituted heteroaryl or the like; Y is CO, SO 2 , CR 3 R 4 or the like; Z is optionally substituted lower alkyl, optionally substituted aryl or the like; W is optionally substituted lower alkylene or optionally substituted lower alkenylene, R 3 and R 4 are each independently hydrogen, lower alkyl or the like; p is 0, 1, or 2 and q is 0, 1 or 2. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及式(I)的肟化合物及其药学上可接受的盐、前药或溶剂，其中X为氢、可选取代芳基、可选取代杂环基或类似物；Y为CO、SO2、CR3R4或类似物；Z为可选取代的低烷基、可选取代的芳基或类似物；W为可选取代的低烷基或可选取代的低烯基，R3和R4各自独立地为氢、低烷基或类似物；p为0、1或2，q为0、1或2。本发明还涉及使用式(I)的化合物来治疗、预防或改善对钙通道封锁有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• NOVEL CARBAPENEM DERIVATIVES
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1336612B1

  公开（公告）日：2007-01-17
• PHENOTYPE-BASED CHEMICAL SCREENS
  申请人：The General Hospital Corporation, d/b/a Massachusetts General Hospital

  公开号：US20170169164A1

  公开（公告）日：2017-06-15

  Embodiments of the present invention provide materials and methods for performing phenotype-based chemical screens. Embodiments disclosed herein pertain to the use of a battery of high-throughput zebrafish behavioral assays to generate behavioral profiles. In accordance with these embodiments, responses to various chemical compounds with known and unknown biological functions can be used to generate behavioral profiles. Embodiments also involve generating behavioral profiles based on genetic mutations or environmental perturbations. Establishing databases of behavioral profiles facilitates identification of novel chemicals that phenocopy effects of therapeutic agents and/or that modulate genetic or environmental behavioral profiles, thereby providing a basis for not only assessing the properties of known chemical compounds but also for developing novel treatments for human diseases.
• Novelli; Sparatore, Il Farmaco, 1996, vol. 51, # 8-9, p. 551 - 558
  作者：Novelli、Sparatore

  DOI：——

  日期：——