5-ammonium-4,5,6,7-tetrahydrobenzo[b]thiophene hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-ammonium-4,5,6,7-tetrahydrobenzo[b]thiophene hydrochloride
• 英文别名: 5-amino-4,5,6,7-tetrahydrobenzo[b]thiophene.hydrochloride；4,5,6,7-tetrahydro-1-benzothiophen-5-amine;hydrochloride
• 化学式: C₈H₁₁NS*ClH
• 分子量: 189.709
• InChiKey: ADVLFWLQDNIJCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-ammonium-4,5,6,7-tetrahydrobenzo[b]thiophene hydrochloride 、 邻甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5-[(2-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene
  参考文献：
  名称：

  Pyridazinone derivatives and processes for preparing the same

  摘要：

  揭示了一种由以下式表示的吡啶酮化合物：##STR1## 其中（1）R.sup.1是取代或未取代的C.sub.1-10烷基，C.sub.3-6环烷基，较低烯基，具有N、O或S原子的杂环基团或樟脑-10-基；R.sup.3是氢，取代或未取代的较低烷基或较低烯基；或R.sup.1和R.sup.3在其末端结合形成较低烷基；Z是由以下式表示的基团：##STR2## 其中n为1或2；D为氢或卤素；或（2）R.sup.1是取代或未取代的C.sub.1-10烷基，取代或未取代的苯基，C.sub.3-6环烷基，较低烯基，具有N、O或S原子的杂环基团或樟脑-10-基；R.sup.3是氢，取代或未取代的较低烷基或较低烯基；或R.sup.1和R.sup.3在其末端结合形成较低烷基；Z是由以下式表示的基团：##STR3## R.sup.2是氢，取代或未取代的较低烷基，芳基或较低烯基；--A--B--是乙烯或乙烯基，每个都可以被来自由以下组成的1或2个基取代，所述组包括较低烷基和苯基，或其药学上可接受的盐，以及其制备方法。

  公开号：

  US05739132A1
• 作为产物：
  描述：

  3-噻吩甲铵,N,N,N-三甲基-2-[(三甲基甲硅烷基)甲基]-,碘化 、 丙烯酸甲酯（MA） 生成 6-ammonium-4,5,6,7-tetrahydrobenzo[b]thiophene hydrochloride 、 5-ammonium-4,5,6,7-tetrahydrobenzo[b]thiophene hydrochloride
  参考文献：
  名称：

  Further Characterization of Structural Requirements for Ligands at the Dopamine D₂ and D₃ Receptor:  Exploring the Thiophene Moiety

  摘要：

  The present study describes the synthesis and in vitro pharmacology of a novel series of dopaminergic agents in which the classical phenylethylamine pharmacophore is replaced by a thienylethylamine moiety. In general, the novel compounds showed a moderate affinity for the dopamine (DA) D-2 and D-3 receptors. When the thienylethylamine moiety is fixed in a rigid system, the affinity for the DA receptor is significantly increased. However, in the tricyclic hexahydrothianaphthoxazine structure, the affinity for the DA receptors is diminished.

  DOI：

  10.1021/jm001015a

文献信息

• US5739132A
  申请人：——

  公开号：US5739132A

  公开（公告）日：1998-04-14
• Pyridazinone derivatives and processes for preparing the same
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US05739132A1

  公开（公告）日：1998-04-14

  Disclosed are a pyridazinone compound represented by the formula: ##STR1## wherein (1) R.sup.1 is a substituted or unsubstituted C.sub.1-10 alkyl, a C.sub.3-6 cycloalkyl, a lower alkenyl, a heterocyclic group having N, O or S atom or camphor-10-yl; R.sup.3 is hydrogen, a substituted or unsubstituted lower alkyl or a lower alkenyl; or R.sup.1 and R.sup.3 are bonded at terminal ends thereof to form a lower alkylene; and Z is a group represented by the formula: ##STR2## where n is 1 or 2; and D is hydrogen or a halogen; or (2) R.sup.1 is a substituted or unsubstituted C.sub.1-10 alkyl, a substituted or unsubstituted phenyl, a C.sub.3-6 cycloalkyl, a lower alkenyl, a heterocyclic group having N, O or S atom or camphor-10-yl; R.sup.3 is hydrogen, a substituted or unsubstituted lower alkyl or a lower alkenyl; or R.sup.1 and R.sup.3 are bonded at terminal ends thereof to form a lower alkylene; and Z is a group represented by the formula: ##STR3## and R.sup.2 is hydrogen, a substituted or unsubstituted lower alkyl, an aryl or a lower alkenyl; and --A--B-- is an ethylene or vinylene each of which may be substituted by 1 or 2 groups selected from the group consisting of a lower alkyl and phenyl group, or a pharmaceutically acceptable salt thereof, and processes for preparing the same.

  揭示了一种由以下式表示的吡啶酮化合物：##STR1## 其中（1）R.sup.1是取代或未取代的C.sub.1-10烷基，C.sub.3-6环烷基，较低烯基，具有N、O或S原子的杂环基团或樟脑-10-基；R.sup.3是氢，取代或未取代的较低烷基或较低烯基；或R.sup.1和R.sup.3在其末端结合形成较低烷基；Z是由以下式表示的基团：##STR2## 其中n为1或2；D为氢或卤素；或（2）R.sup.1是取代或未取代的C.sub.1-10烷基，取代或未取代的苯基，C.sub.3-6环烷基，较低烯基，具有N、O或S原子的杂环基团或樟脑-10-基；R.sup.3是氢，取代或未取代的较低烷基或较低烯基；或R.sup.1和R.sup.3在其末端结合形成较低烷基；Z是由以下式表示的基团：##STR3## R.sup.2是氢，取代或未取代的较低烷基，芳基或较低烯基；--A--B--是乙烯或乙烯基，每个都可以被来自由以下组成的1或2个基取代，所述组包括较低烷基和苯基，或其药学上可接受的盐，以及其制备方法。
• Further Characterization of Structural Requirements for Ligands at the Dopamine D₂ and D₃ Receptor:  Exploring the Thiophene Moiety
  作者：Durk Dijkstra、Nienke Rodenhuis、Erik S. Vermeulen、Thomas A. Pugsley、Lawrence D. Wise、Håkan V. Wikström

  DOI：10.1021/jm001015a

  日期：2002.7.1

  The present study describes the synthesis and in vitro pharmacology of a novel series of dopaminergic agents in which the classical phenylethylamine pharmacophore is replaced by a thienylethylamine moiety. In general, the novel compounds showed a moderate affinity for the dopamine (DA) D-2 and D-3 receptors. When the thienylethylamine moiety is fixed in a rigid system, the affinity for the DA receptor is significantly increased. However, in the tricyclic hexahydrothianaphthoxazine structure, the affinity for the DA receptors is diminished.