哌嗪,1-[4-氟-2-(1-甲基乙氧基)苯基]- | 148583-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 哌嗪,1-[4-氟-2-(1-甲基乙氧基)苯基]-
• 英文名称: 1-[4-fluoro-2-(1-methylethoxy)phenyl]piperazine
• 英文别名: 1-(4-Fluoro-2-methylethoxyphenyl)piperazine；1-{4-Fluoro-2-[(propan-2-yl)oxy]phenyl}piperazine；1-(4-fluoro-2-propan-2-yloxyphenyl)piperazine
• CAS: 148583-60-2
• 化学式: C₁₃H₁₉FN₂O
• 分子量: 238.305
• InChiKey: XYWRFSVJNMOULI-UHFFFAOYSA-N

物化性质

• 沸点：
  354.3±42.0 °C(Predicted)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  哌嗪,1-[4-氟-2-(1-甲基乙氧基)苯基]- 、 4-N-Boc-氨基环己酮 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 以88%的产率得到tert-butyl N-[4-[4-(4-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]carbamate
  参考文献：
  名称：

  WO2006/50048

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氟-2-异丙氧基苯胺 在 三乙胺 作用下， 以 氯苯 为溶剂， 生成 哌嗪,1-[4-氟-2-(1-甲基乙氧基)苯基]-
  参考文献：
  名称：

  4-arylpiperazines and 4-arylpiperidines

  摘要：

  通式I的化合物：##STR1## 被披露为新型抗精神病药物。

  公开号：

  US05569659A1

文献信息

• Isoxazolecarboxamide derivatives
  申请人：Recordati, S.A., Chemical and Pharmacueticals Company

  公开号：US06365591B1

  公开（公告）日：2002-04-02

  The invention relates to novel N-(substituted phenyl)-N′-[&ohgr;-(3-substituted phenyl-4-isoxazolecarbonylamino)alkyl]piperazines, their N-oxides, and pharmaceutically acceptable salts thereof. The compounds are endowed with enhanced selectivity for alpha1-adrenergic receptors and a low activity in lowering blood pressure. The compounds are useful in the treatment of obstructive syndromes of the lower urinary tract, including benign prostatic hyperplasia (BPH), and in the treatment of lower urinary tract symptoms (LUTS) and neurogenic lower urinary tract dysfunction (NLUTD), and other conditions.

  该发明涉及新型N-(取代苯基)-N′-[ω-(3-取代苯基-4-异噁唑甲酰胺)烷基]哌嗪，它们的N-氧化物以及其药用可接受的盐。这些化合物具有增强的α1-肾上腺素受体选择性和降低血压活性较低。这些化合物在治疗下尿路梗阻综合征，包括良性前列腺增生（BPH），以及治疗下尿路症状（LUTS）和神经源性下尿路功能障碍（NLUTD）等疾病方面具有用途。
• Orally Active Benzamide Antipsychotic Agents with Affinity for Dopamine D₂, Serotonin 5-HT_1A, and Adrenergic α₁ Receptors
  作者：Allen B. Reitz、Ellen W. Baxter、Ellen E. Codd、Coralie B. Davis、Alfonzo D. Jordan、Bruce E. Maryanoff、Cynthia A. Maryanoff、Mark E. McDonnell、Eugene T. Powell、Michael J. Renzi、Mary R. Schott、Malcolm K. Scott、Richard P. Shank、Jeffry L. Vaught

  DOI：10.1021/jm970164z

  日期：1998.6.1

  New antipsychotic drugs are needed because current therapy is ineffective for many schizophrenics and because treatment is often accompanied by extrapyramidal symptoms and dyskinesias. This paper describes the design, synthesis, and evaluation of a series of related (aminomethyl)benzamides in assays predictive of antipsychotic activity in humans. These compounds had notable affinity for dopamine D-2, serotonin 5-HT1A, and alpha(1)-adrenergic receptors. The arylpiperazine 1-[3-[[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]methyl]benzoyl]piperidine (mazapertine, 6) was chosen because of its overall profile for evaluation in human clinical trials. The corresponding 4-arylpiperidine derivative 67 was also highly active indicating that the aniline nitrogen of 6 is not required for activity. Other particularly active structures include homopiperidine amide 14 and N-methylcyclohexylamide 31.
• ISOXAZOLECARBOXAMIDE DERIVATIVES
  申请人：RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a.

  公开号：EP1226131B1

  公开（公告）日：2003-12-17
• HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT
  申请人：Recordati Ireland Limited

  公开号：EP1432701B1

  公开（公告）日：2005-12-21
• US6365591B1
  申请人：——

  公开号：US6365591B1

  公开（公告）日：2002-04-02