4,4-dimethylazepan-1-ium chloride | 157943-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 4,4-dimethylazepan-1-ium chloride
• 英文别名: 4,4-dimethyl-azepane hydrochloride；4,4-Dimethylazepan-1-ium;chloride；4,4-dimethylazepan-1-ium;chloride
• CAS: 157943-16-3
• 化学式: C₈H₁₇N*ClH
• 分子量: 163.691
• InChiKey: BTBSPFCBWNCQRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  10
• 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：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4-dimethylazepan-1-ium chloride 在 四(三苯基膦)钯 水 、 caesium carbonate 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 乙二醇二甲醚 、 industrial methylated spirit 、 乙腈 为溶剂， 生成 C₁₈H₂₃N₃O₃S
  参考文献：
  名称：

  [EN] AMIDO-THIOPHENE COMPOUNDS AND THEIR USE
  [FR] COMPOSÉS AMIDO-THIOPHÈNE ET LEUR UTILISATION

  摘要：

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些酰胺-噻吩化合物，其中包括抑制11β-羟基类固醇脱氢酶1（11β-HSD1）的作用。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物，在体内和体外，抑制11β-羟基类固醇脱氢酶1；治疗通过抑制11β-羟基类固醇脱氢酶1而得到改善的疾病；治疗代谢综合征，其中包括糖尿病和肥胖等疾病，以及相关疾病，包括胰岛素抵抗、高血压、脂质紊乱和心血管疾病，如缺血性（冠状）心脏病；治疗中枢神经系统疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。

  公开号：

  WO2009112845A1
• 作为产物：
  描述：

  4,4-二甲基环己酮 在 lithium aluminium tetrahydride 、 甲酸 、 hydroxylamine-O-sulfonic acid 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 4,4-dimethylazepan-1-ium chloride
  参考文献：
  名称：

  Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel

  摘要：

  We describe the use of organosilanes as inhibitors and structural probes of a membrane protein, the M2 proton channel from influenza A virus. Organosilane amine inhibitors were found to be generally as potent as their carbon analogues in targeting WT A/M2 and more potent against the drug-resistant A/M2-V27A mutant. In addition, intermolecular NOESY spectra with dimethyl-substituted organosilane amine inhibitors clearly located the drug binding site at the N-terminal lumen of the A/M2 channel dose to V27.

  DOI：

  10.1021/ja2050666

文献信息

• Amido-thiophene compounds and their use
  申请人：The University of Edinburgh

  公开号：US08299063B2

  公开（公告）日：2012-10-30

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain amido-thiophene compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明涉及治疗化合物领域。更具体地说，本发明涉及某些酰胺噻吩化合物，其在其他方面抑制11β-羟化甾体脱氢酶1型（11β-HSD1）。本发明还涉及包含这些化合物的制药组合物，以及在体内外使用这些化合物和组合物来抑制11β-羟化甾体脱氢酶1型；治疗通过抑制11β-羟化甾体脱氢酶1型改善的疾病；治疗代谢综合征，包括2型糖尿病和肥胖症，以及相关疾病，包括胰岛素抵抗、高血压、脂质代谢紊乱和心血管疾病，如缺血性（冠状动脉）心脏病；治疗CNS疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。
• Amido-Thiophene Compounds and Their Use
  申请人：Webster Scott Peter

  公开号：US20130012545A1

  公开（公告）日：2013-01-10

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain amido-thiophene compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明通常涉及治疗化合物领域。更具体地，本发明涉及某些酰胺噻吩化合物，其在其他方面抑制11β-羟化固醇脱氢酶1型（11β-HSD1）。本发明还涉及包括这些化合物的制药组合物，并且在体内外使用这些化合物和组合物来抑制11β-羟化固醇脱氢酶1型；治疗通过抑制11β-羟化固醇脱氢酶1型改善的疾病；治疗代谢综合征，包括2型糖尿病和肥胖症等疾病，以及相关疾病，包括胰岛素抵抗、高血压、脂质代谢紊乱和缺血性（冠状动脉）心脏病等心血管疾病；治疗CNS疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。
• AMIDO-THIOPHENE COMPOUNDS AND THEIR USE
  申请人：THE UNIVERSITY OF EDINBURGH

  公开号：EP2283004A1

  公开（公告）日：2011-02-16
• US8299063B2
  申请人：——

  公开号：US8299063B2

  公开（公告）日：2012-10-30
• US8614209B2
  申请人：——

  公开号：US8614209B2

  公开（公告）日：2013-12-24