1-(5-amino-4H-1,2,4-triazol-3-yl)-4-(o-fluorobenzyl)piperazine | 89292-96-6

• 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: 1-(5-amino-4H-1,2,4-triazol-3-yl)-4-(o-fluorobenzyl)piperazine
• 英文别名: 3-{4-[(2-Fluorophenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine；3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
• CAS: 89292-96-6
• 化学式: C₁₃H₁₇FN₆
• 分子量: 276.317
• InChiKey: DCGVDEKPCHRGIU-UHFFFAOYSA-N

物化性质

• 沸点：
  476.7±55.0 °C(Predicted)
• 密度：
  1.365±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  74.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(2-氟苄基)哌嗪 在 一水合肼 作用下， 以 乙腈 为溶剂， 反应 22.0h， 生成 1-(5-amino-4H-1,2,4-triazol-3-yl)-4-(o-fluorobenzyl)piperazine
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013

文献信息

• [EN] SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME<br/>[FR] TRIAZOLES AMINO-SUBSTITUÉS ET PROCÉDÉS D'UTILISATION
  申请人：INST DRUG DELIVERY

  公开号：WO2015095701A1

  公开（公告）日：2015-06-25

  Disclosed are novel substituted amino triazoles of Formula (I), and pharmaceutically acceptable salts thereof. The compounds of Formula (I) are inhibitors of Acidic mammalian chitinase (AMCase) and are useful, in a non-limiting example, for treating asthma. Also provided are pharmaceutical compositions containing at least one compound of the present invention, or a pharmaceutically acceptable salt, hydrate or solvate thereof, and at least one pharmaceutically acceptable carrier, solvent, adjuvant or diluent, and methods of using such compounds and/or compositions to treat asthma and/or to monitor asthma treatment.

  公开了化合物的新型替代氨基三唑的结构，其化学式为（I），以及其药学上可接受的盐。化合物的化学式（I）是酸性哺乳动物几丁质酶（AMCase）的抑制剂，并且在非限制性示例中用于治疗哮喘。还提供了含有本发明至少一种化合物或其药学上可接受的盐、水合物或溶剂化合物的药物组合物，以及至少一种药学上可接受的载体、溶剂、辅料或稀释剂，并使用这些化合物和/或组合物来治疗哮喘和/或监测哮喘治疗的方法。
• SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME
  申请人：The Institute For Drug Delivery

  公开号：EP3082805A1

  公开（公告）日：2016-10-26
• US4421753A
  申请人：——

  公开号：US4421753A

  公开（公告）日：1983-12-20
• 5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents
  作者：Walter E. Meyer、Andrew S. Tomcufcik、Peter S. Chan、Margie Haug

  DOI：10.1021/jm00123a013

  日期：1989.3

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.