2-(4-ethylpiperazin-1-yl)benzo[d]thiazole

• 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: 2-(4-ethylpiperazin-1-yl)benzo[d]thiazole
• 英文别名: 2-(4-Ethylpiperazin-1-yl)-1,3-benzothiazole
• 化学式: C₁₃H₁₇N₃S
• 分子量: 247.364
• InChiKey: RRQBCJDYYQAJST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯苯并噻唑 在 碳酸氢钠 作用下， 以 异丙醇 、 苯 为溶剂， 反应 36.0h， 生成 2-(4-ethylpiperazin-1-yl)benzo[d]thiazole
  参考文献：
  名称：

  非咪唑组胺H3配体。第一部分。合成具有H1封闭活性的H3拮抗剂的2-（1-哌嗪基）-和2-（六氢-1H-1,4-二氮杂-1-基）苯并噻唑衍生物。

  摘要：

  制备了新的2-（1-哌嗪基）-和2-（六氢-1H-1,4-二氮杂-1-基）苯并噻唑并作为H1-和H3-受体拮抗剂进行了测试。许多化合物表现出较弱的H1拮抗活性，pA2值为5.5至6.1。简单的烷基取代的2- [1-（1-（4-甲基和4-乙基）哌嗪基]类似物显示出中等的H3拮抗活性（pA2 = 6.0，pA2 = 7.0）。对于哌嗪基和六氢-1H-1,4-二氮杂-1-基同系物序列，具有4-苯基烷基取代基的化合物，无论苯环上对位取代基的物理化学性质如何，均表现出弱的H3-拮抗性pA2值介于4.4至5.6之间的活性。

  DOI：

  10.1016/s0014-827x(99)00081-6

文献信息

• Ru/C: a simple heterogeneous catalyst for the amination of azoles under ligand free conditions
  作者：K. Harsha Vardhan Reddy、B. S. P. Anil Kumar、V. Prakash Reddy、R. Uday Kumar、Y. V. D. Nageswar

  DOI：10.1039/c4ra05447d

  日期：——

  A ligand free Ru/C-catalyzed amination of 2-halo azoles with a broad scope of aminating reagents has been developed. Utilizing this protocol a variety of 2-aminoazole derivatives were synthesized in moderate to good yields. The methodology is operationally simple and it provides potentially useful products by using an inexpensive recyclable catalytic system.

  使用无配体的Ru/C催化剂对2-卤代唑类化合物进行胺化反应，可以使用广泛的胺化试剂。利用这一方法合成了多种2-氨基唑类衍生物，产率在中等到良好之间。该方法操作简单，并且通过使用廉价可回收的催化体系提供了潜在有用的产物。
• 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same
  申请人：FUJIFILM Corporation

  公开号：US11161830B2

  公开（公告）日：2021-11-02

  An object of the present invention is to provide a compound or a salt thereof having anti-HBV activity, a pharmaceutical composition, an anti-hepatitis B virus agent, a production inhibitor of DNA of a hepatitis B virus, and a production or secretion inhibitor of a hepatitis B surface antigen. According to the present invention, provided are a compound represented by General Formula [1] or a salt thereof: (in the formula, R1 represents a benzothiazolyl group which may be substituted (in which a carbon atom constituting the 6-membered ring of the benzothiazolyl group of R1 is bonded to the nitrogen atom of the pyridone ring); R2 represents a C2-6 alkenyl group which may be substituted, or the like; and R3 represents a hydrogen atom or the like).

  本发明的目的是提供一种具有抗乙型肝炎病毒活性的化合物或其盐，一种药物组合物，一种抗乙型肝炎病毒制剂，一种乙型肝炎病毒DNA产生抑制剂，以及一种乙型肝炎表面抗原产生或分泌抑制剂。根据本发明，提供了通式[1]代表的化合物或其盐： (式中，R1 代表可能被取代的苯并噻唑基团（其中，构成 R1 苯并噻唑基团 6 元环的碳原子与吡啶酮环的氮原子键合）；R2 代表可能被取代的 C2-6 烯基或类似基团；R3 代表氢原子或类似基团）。
• Metal free amination of 2-chloroazoles in aqueous medium
  作者：R. Uday Kumar、K. Harsha Vardhan Reddy、B.S.P. Anil Kumar、G. Satish、V. Prakash Reddy、Y.V.D. Nageswar

  DOI：10.1016/j.tetlet.2015.12.084

  日期：2016.2

  A green approach for the synthesis of 2-amino azoles by the reaction of 2-chloro azoles with various types of amines using water as an environment friendly solvent at room temperature has been developed. The significant features of this methodology are short reaction time and easy product separation. This approach provides various biologically active compounds in good to excellent yields without adding any catalyst, ligand, or base. (C) 2015 Elsevier Ltd. All rights reserved.
• PYRIDAZINYL- PIPERAZINES AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS
  申请人：High Point Pharmaceuticals, LLC

  公开号：EP1651615B1

  公开（公告）日：2010-03-17
• Non-imidazole histamine H3 ligands. Part I. Synthesis of 2-(1-piperazinyl)- and 2-(hexahydro-1H-1,4-diazepin-1-yl)benzothiazole derivatives as H3-antagonists with H1 blocking activities
  作者：Krzysztof Walczyński、Roman Guryn、Obbe P. Zuiderveld、Henk Timmerman

  DOI：10.1016/s0014-827x(99)00081-6

  日期：1999.10

  New 2-(1-Piperazinyl)- and 2-(hexahydro-1H-1,4-diazepin-1-yl)benzothiazoles were prepared and tested as H1- and H3-receptor antagonists. A number of compounds showed weak H1-antagonistic activity, with pA2 values ranging from 5.5 to 6.1. The simple alkyl substituted, 2-[1-(4-methyl and 4-ethyl)piperazinyl] analogues show increasing, moderate H3-antagonistic activity (pA2 = 6.0, and pA2 = 7.0). The

  制备了新的2-（1-哌嗪基）-和2-（六氢-1H-1,4-二氮杂-1-基）苯并噻唑并作为H1-和H3-受体拮抗剂进行了测试。许多化合物表现出较弱的H1拮抗活性，pA2值为5.5至6.1。简单的烷基取代的2- [1-（1-（4-甲基和4-乙基）哌嗪基]类似物显示出中等的H3拮抗活性（pA2 = 6.0，pA2 = 7.0）。对于哌嗪基和六氢-1H-1,4-二氮杂-1-基同系物序列，具有4-苯基烷基取代基的化合物，无论苯环上对位取代基的物理化学性质如何，均表现出弱的H3-拮抗性pA2值介于4.4至5.6之间的活性。