2-[4-(1,3-苯并二氧戊环-5-基甲基)哌嗪-1-基]-1,3-苯并噻唑 | 155106-73-3

• 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: 2-[4-(1,3-苯并二氧戊环-5-基甲基)哌嗪-1-基]-1,3-苯并噻唑
• 英文名称: 2-[1-(4-piperonyl)piperazinyl]benzothiazole
• 英文别名: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
• CAS: 155106-73-3
• 化学式: C₁₉H₁₉N₃O₂S
• 分子量: 353.445
• InChiKey: BYHKGNWKJMGHGE-UHFFFAOYSA-N

物化性质

• 沸点：
  501.7±60.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)
• 溶解度：
  温和加热时在 DMSO 中溶解至 10 mM

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-methylthiobenzothiazole hydroiodide 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 17.5h， 生成 2-[4-(1,3-苯并二氧戊环-5-基甲基)哌嗪-1-基]-1,3-苯并噻唑
  参考文献：
  名称：

  Synthesis of 2-Piperazinylbenzothiazole and 2-Piperazinylbenzoxazole Derivatives with 5-HT3 Antagonist and 5-HT4 Agonist Properties

  摘要：

  New 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives were prepared and tested as 5-HT3 receptor antagonists. Some of the new compounds antagonized the effect of 5-HT at the longitudinal muscle myenteric plexus (LMMP) preparation of the guinea pig ileum, and two benzothiazole derivatives, compounds 2e and 2f, were more potent than ondansetron in this regard. However, these two compounds were much weaker than the typical 5-HT3 receptor antagonist as displacers of [H-3]BRL-43694 binding to rat cerebral cortex homogenates or as antagonists of the bradycardia response to 5-HT in the anaesthetized rat. Like the prokinetic agent cisapride, some of the new compounds enhanced gastric emptying in rats. Compound 2f not only markedly enhanced gastric emptying but was also a potent agonist at the isolated rat oesophageal tunics muscularis mucosae, a preparation sensitive to 5-HT4 receptor stimulation, and enhanced the twitch response in the LMMP preparation. The latter effect was blocked by a high concentration of tropisetron or by previous desensitization with 6-methoxytryptamine Compound 2f appears to show a promising pharmacological profile as a potential gastrokinetic agent.

  DOI：

  10.1021/jm00035a012

文献信息

• NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION
  申请人：Barlow Carrolee

  公开号：US20070049576A1

  公开（公告）日：2007-03-01

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  该即时披露描述了通过刺激或增加神经发生来治疗中枢神经系统和外周神经系统的疾病和病症的方法。该披露包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经生成剂结合以刺激或激活新神经细胞的形成。
• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• Neurogenesis by muscarinic receptor modulation with sabcomelin
  申请人：Braincells, Inc.

  公开号：EP2258359A2

  公开（公告）日：2010-12-08

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经发生剂联合使用，以刺激或激活新神经细胞的形成。
• Neurogenesis by muscarinic receptor modulation
  申请人：Braincells, Inc.

  公开号：EP2275095A2

  公开（公告）日：2011-01-19

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经发生剂联合使用，以刺激或激活新神经细胞的形成。
• Neurogenesis via modulation of the muscarinic receptors
  申请人：Braincells, Inc.

  公开号：EP2275096A2

  公开（公告）日：2011-01-19

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经发生剂联合使用，以刺激或激活新神经细胞的形成。