piperazine dihydrochloride hydrate | 6091-62-9

• 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: piperazine dihydrochloride hydrate
• 英文别名: piperazine dihydrochloride monohydrate；Piperazine dihydrochloride hydrate 98；piperazine;hydrate;hydrochloride
• CAS: 6091-62-9
• 化学式: C₄H₁₀N₂*2ClH*H₂O
• 分子量: 177.074
• InChiKey: VKBJNABNNJYRTK-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°C
• 稳定性/保质期：
  常温常压下稳定，是一种白色晶体。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.1
• 氢给体数：
  4
• 氢受体数：
  3

安全信息

• TSCA：
  Yes
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  piperazine dihydrochloride hydrate 、 5-苯基戊酰氯 生成 1,4-bis-(5-phenyl-valeryl)-piperazine
  参考文献：
  名称：

  一些哌嗪衍生物的辛辣味特征。

  摘要：

  DOI：

  10.1126/science.112.2917.626

文献信息

• Antivertigo agents. I. Structure-activity relationships of 2-(2-aminoethyl)pyridines.
  作者：AKIRA SHIOZAWA、YUHICHIRO ICHIKAWA、CHIKARA KOMURO、GENICHI IDZU、MICHIO ISHIKAWA、SHUJI KURASHIGE、HIROSHI MIYAZAKI、HIROSHI YAMANAKA、TAKAO SAKAMOTO

  DOI：10.1248/cpb.32.553

  日期：——

  A series of 2-(2-aminoethyl) pyridines derived by the modification of the amine moiety in betahistine, 2-(2-methylaminoethyl) pyridine, was synthesized and evaluated for antivertigo action in terms of inhibitory activity against spontaneous nystagmus in cats. The structure-activity relationships between the amine moieties and antivertigo activities were investigated. The effects of substituents on the phenyl ring of the 4-phenylpiperazine moiety were investigated by means of quantitative regression analysis using various physicochemical parameters. The following equation gave the best correlation. log 1/ID30=-0.417 (±0.322) π+0.166 (±0.048) MR-1.473 (±0.237) (n=15, s=0.239, r=0.910, F212=28.887). In this series of compounds, 1-(2-methoxyphenyl)-4-[2-(2-pyridyl) ethyl] piperazine, 1-(2-methoxyphenyl)-4-[2-[2-(6-methyl) pyridyl] ethyl]-piperazine, and 1-(2-methoxyphenyl)-4-[2-[2-(5-ethyl) pyridyl] ethyl] piperazine were found to show more potent activity than betahistine. Thus, the 4-(2-methoxyphenyl) piperazine group was found to be the most effective amine moiety for activity against spontaneous nystagmus.

  通过修改倍他司汀中的胺部分，合成了一系列2-(2-氨基乙基)吡啶，并将其合成的2-(2-甲基氨基乙基)吡啶，就其对猫自发性眼球震颤的抑制活性，评估了它们的抗眩晕作用。研究了胺部分与抗眩晕活性之间的构效关系。通过利用各种物理化学参数进行定量回归分析，研究了4-苯基哌嗪部分苯环上取代基的影响。以下方程给出了最佳相关性。log 1/ID30=-0.417 (±0.322) π+0.166 (±0.048) MR-1.473 (±0.237) (n=15, s=0.239, r=0.910, F212=28.887).在这一系列化合物中，发现1-(2-甲氧基苯基)-4-[2-(2-吡啶基)乙基]哌嗪，1-(2-甲氧基苯基)-4-[2-[2-(6-甲基)吡啶基]乙基]-哌嗪，和1-(2-甲氧基苯基)-4-[2-[2-(5-乙基)吡啶基]乙基]哌嗪的活性强于倍他司汀。因此，发现4-(2-甲氧基苯基)哌嗪部分是对抗自发性眼球震颤活性最有效的胺部分。
• Inhibition studies on Mycobacterium tuberculosis N-acetylglucosamine-1-phosphate uridyltransferase (GlmU)
  作者：Anh Thu Tran、Daying Wen、Nicholas P. West、Edward N. Baker、Warwick J. Britton、Richard J. Payne

  DOI：10.1039/c3ob41896k

  日期：——

  Peptidoglycan is an essential component of the cell wall of bacteria, including Mycobacterium tuberculosis, that provides structural strength and rigidity to enable internal osmotic pressure to be withstood. The first committed step in the biosynthesis of peptidoglycan involves the formation of uridine diphosphate-N-acetylglucosamine (UDP-GlcNAc) from uridine triphosphate (UTP) and GlcNAc-1-phosphate. This reaction is catalysed by N-acetylglucosamine-1-phosphate uridyltransferase (GlmU), a bifunctional enzyme with two independent active sites that possess acetyltransferase and uridyltransferase activities. Herein, we report the first inhibition study targeted against the uridyltransferase activity of M. tuberculosis GlmU. A number of potential inhibitors were initially prepared leading to the discovery of active aminoquinazoline-based compounds. The most potent inhibitor in this series exhibited an IC50 of 74 μM against GlmU uridyltransferase activity and serves as a promising starting point for the discovery of more potent inhibitors.

  肽聚糖是细菌细胞壁的重要组成部分，包括结核分枝杆菌，它为细胞提供结构强度和刚性，以抵御内部渗透压。肽聚糖生物合成中的第一个关键步骤是尿苷二磷酸-N-乙酰氨基葡萄糖（UDP-GlcNAc）从尿苷三磷酸（UTP）和GlcNAc-1-磷酸形成。此反应由N-乙酰氨基葡萄糖-1-磷酸尿苷转移酶（GlmU）催化，GlmU是一种双功能酶，具有两个独立的活性位点，分别具备乙酰转移酶和尿苷转移酶活性。在此，我们报告了针对结核分枝杆菌GlmU的尿苷转移酶活性的首次抑制研究。最初准备了一些潜在抑制剂，导致发现了活性氨基喹唑啉类化合物。在这一系列中，最有效的抑制剂对GlmU尿苷转移酶活性的IC50为74μM，是发现更高效抑制剂的良好起点。
• Calcium channel blockers
  申请人：Massachusetts College of Pharmacy

  公开号：US20020115655A1

  公开（公告）日：2002-08-22

  The invention involves the identification of a family of compounds which block calcium channels. The compounds can be formulated in pharmaceutical carriers and administered to subjects. The compounds are useful for treating disorders associated with calcium channel activity, such as, cardiovascular diseases, for example hypertension, congestive heart failure, arrhythmia and angina.

  这项发明涉及识别一类阻断钙通道的化合物家族。这些化合物可以制成药物载体并用于治疗相关于钙通道活性的疾病，例如心血管疾病，如高血压、心力衰竭、心律失常和心绞痛。
• Saldabol; Giller, Latvijas PSR Zinatnu Akademijas Vestis, 1959, # 1, p. 77,79, 83
  作者：Saldabol、Giller

  DOI：——

  日期：——
• Beasley et al., Journal of Pharmacy and Pharmacology, 1958, vol. 10, p. 47,59
  作者：Beasley et al.

  DOI：——

  日期：——