4-benzoyl-1-methylpyridinium cation | 101558-59-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzoyl-1-methylpyridinium cation
• 英文别名: N-methyl-4-benzoylpyridinium；Me-BP；Pyridinium, 4-benzoyl-1-methyl-；(1-methylpyridin-1-ium-4-yl)-phenylmethanone
• CAS: 101558-59-2
• 化学式: C₁₃H₁₂NO
• 分子量: 198.244
• InChiKey: KIIFMEZUSAELQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  21
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-benzoyl-1-methylpyridinium cation 在 potassium chloride 、 重水 作用下， 生成
  参考文献：
  名称：

  Control of the Ketone to gem-Diol Equilibrium by Host−Guest Interactions

  摘要：

  In water, N-methyl-4-(p-substituted benzoyl)pyridinium cations, BP-X, exist in equilibrium with their hydrated forms (gem-diols), whose concentrations depend on the para substituent (-X). In the presence of cucurbit[7]uril (CB[7]), the benzoyl group shows a preference for the CB[7] cavity, and the ketone to gem-diol equilibrium is shifted toward the keto form, meaning that the stabilization realized through hydrophobic interactions of the benzoyl group in the CB[7] cavity exceeds the hydrogen-bonding stabilization of the gem-diols in the aqueous environment.

  DOI：

  10.1021/ol800021r

文献信息

• BIS-PYRINIDIUM COMPOUNDS
  申请人：Widmer Alfred Werner

  公开号：US20100016367A1

  公开（公告）日：2010-01-21

  A method of treating, inhibiting, or preventing an infection in a subject is described. The method comprises administering to the subject an effective amount of at least one bis-pyridinium compound. The bis-pyridinium compound comprises two aromatic ring structures. Each of the ring structures comprises a pyridine ring, and the ring structures are linked by a linker group of at least 8 atoms in length, said linker group being attached to the nitrogen atoms of the pyridine rings. At least one substituent on at least one of the ring structures is an alkyl group having at least 2 carbon atoms, and no substituent on either of the ring structures is —OH, —SH or an amine group.

  本文介绍了一种用于治疗、抑制或预防受体内感染的方法。该方法包括向受体内注射至少一种双吡啶化合物的有效量。双吡啶化合物包含两个芳香环结构。每个环结构都包括一个吡啶环，并且这些环结构由至少8个原子长度的连接基团连接，所述连接基团连接到吡啶环的氮原子上。至少一个环结构上的至少一个取代基是具有至少2个碳原子的烷基基团，并且在任何一个环结构上都没有-OH、-SH或胺基团的取代基。
• Novel benzothiazepine and bensothiepine compounds
  申请人：Sasahara Takehiko

  公开号：US20070190041A1

  公开（公告）日：2007-08-16

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substitutent:

  提供了一种药物，可用作治疗和预防高脂血症的治疗剂和预防剂，以及一种药物，可用作治疗和预防与胆汁淤积有关的肝脏疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的治疗剂和预防剂，以及一种药物，可用作治疗和预防肥胖症、脂肪肝和脂肪性肝炎的治疗剂和预防剂。化合物的苯并噻吩或苯并噻环代表如下式（1A），具有硫酰胺键和季铵取代基：
• Novel quaternary ammonium compounds
  申请人：Sasahara Takehiko

  公开号：US20070203115A1

  公开（公告）日：2007-08-30

  A method for inhibiting ileal bile acid transporter activity in a subject, comprising administering to said subject an effective amount of a compound represented by formula (1):

  一种抑制回肠胆汁酸转运蛋白活性的方法，包括向该受试者施用一种由式（1）所代表的化合物的有效量：
• NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS
  申请人：SASAHARA Takehiko

  公开号：US20120015925A1

  公开（公告）日：2012-01-19

  A pharmaceutical useful as a therapeutic agent and a preventive agent for hyperlipemia, and a pharmaceutical useful as a therapeutic agent and a preventive agent for hepatic disorders associated with cholestasis, particularly, primary biliary cirrhosis and primary sclerosing cholangitis, and a pharmaceutical useful as a therapeutic agent and a preventive agent for obesity, fatty liver and steatohepatitis are provided. A benzothiazepine or benzothiepine compound represented by the following formula (1A) having a thioamide bond and a quaternary ammonium substituent:

  提供了一种作为治疗剂和预防剂用于高脂血症的药物，以及一种作为治疗剂和预防剂用于与胆汁淤积相关的肝疾病，特别是原发性胆汁性肝硬化和原发性硬化性胆管炎的药物，以及一种作为治疗剂和预防剂用于肥胖症、脂肪肝和脂肪性肝炎的药物。该药物是一种具有硫酰胺键和季铵基取代基的苯并噻吩或苯并噻吩化合物，其化学式为（1A）。
• Mittel zum Färben von keratinhaltigen Fasern
  申请人：Henkel Kommanditgesellschaft auf Aktien

  公开号：EP1433785A1

  公开（公告）日：2004-06-30

  Es werden Azomethine mit der Formel I beansprucht in der R1, R2, R3, R4, R5, R6, R7, X und Y- die in den Patentansprüchen und der Beschreibung definierte Bedeutung haben. Die beanspruchten Azomethine eignen sich insbesondere als färbende Komponente in Mitteln zum Färben von keratinhaltigen Fasern, insbesondere zum Färben von menschlichen Haaren.

  要求得到式 I 的偶氮甲烷 其中 R1、R2、R3、R4、R5、R6、R7、X 和 Y- 具有专利权利要求和说明中定义的含义。 所要求的偶氮甲烷特别适用于含角蛋白纤维着色组合物中的着色成分，尤其适用于人类头发的着色。