1-methyl-4-phenyl-1,3-dihydroimidazole-2-thione | 25433-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-4-phenyl-1,3-dihydroimidazole-2-thione
• 英文别名: 1-methyl-4-phenylimidazoline-2-thione；1-methyl-4-phenyl-1,3-dihydro-imidazole-2-thione；1-Methyl-4-phenyl-1,3-dihydro-imidazol-2-thion；3-Methyl-5-phenyl-2-thioxo-Δ(4)-imidazolin；1-Methyl-4-phenyl-imidazolin-2(3)-thion；1-Methyl-4-phenyl-imidazolin-2-thion；3-methyl-5-phenyl-1H-imidazole-2-thione
• CAS: 25433-14-1
• 化学式: C₁₀H₁₀N₂S
• 分子量: 190.269
• InChiKey: YFCLVGABOLJQGE-UHFFFAOYSA-N

物化性质

• 熔点：
  220-221 °C
• 沸点：
  302.8±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-methyl-4-phenyl-1,3-dihydroimidazole-2-thione 在 硝酸 、 溶剂黄146 作用下， 生成 N-methyl-4-phenylimidazole
  参考文献：
  名称：

  The Preparation of 2-Alkylthioimidazoles

  摘要：

  DOI：

  10.1021/ja01160a013
• 作为产物：
  描述：

  2-溴苯乙酮 在 磷化氢 、 碘 、 碳酸氢钠 、 溶剂黄146 作用下， 生成 1-methyl-4-phenyl-1,3-dihydroimidazole-2-thione
  参考文献：
  名称：

  The Preparation of 2-Alkylthioimidazoles

  摘要：

  DOI：

  10.1021/ja01160a013

文献信息

• [EN] TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR<br/>[FR] DÉRIVÉS DE TRIAZOLO- ET DE PYRAZOLOQUINAZOLINE EN TANT QU'INHIBITEURS D'ENZYME PDE10A
  申请人：LUNDBECK & CO AS H

  公开号：WO2012007006A1

  公开（公告）日：2012-01-19

  The invention relates to compounds of the formula (I) and their use as pharmaceutical ingredients, in particular for the treatment of CNS related diseases.

  本发明涉及式(I)化合物的用途，以及它们作为药物成分的应用，特别是用于治疗与中枢神经系统相关的疾病。
• NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS
  申请人：Ritzén Andreas

  公开号：US20100016303A1

  公开（公告）日：2010-01-21

  This invention is directed to compounds, which are PDE10A enzyme inhibitors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. The present invention also provides processes for the preparation of the compounds of formula I. The present invention further provides a method of treating a subject suffering from a neurodegenerative disorder comprising administering to the subject a therapeutically effective amount of a compound of formula I. The present invention also provides a method of treating a subject suffering from a drug addiction comprising administering to the subject a therapeutically effective amount of a compound of formula I. The present invention further provides a method of treating a subject suffering from a psychiatric disorder comprising administering to the subject a therapeutically effective amount of a compound of formula I.

  这项发明涉及一类PDE10A酶抑制剂化合物。该发明提供了一种包含所述发明化合物的治疗有效量和药学可接受载体的药物组合物。本发明还提供了制备式I化合物的方法。本发明还提供了一种治疗患有神经退行性疾病的受试者的方法，包括向受试者投予式I化合物的治疗有效量。本发明还提供了一种治疗患有药物成瘾的受试者的方法，包括向受试者投予式I化合物的治疗有效量。本发明还提供了一种治疗患有精神障碍的受试者的方法，包括向受试者投予式I化合物的治疗有效量。
• [EN] NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS<br/>[FR] NOUVEAU DÉRIVÉS DE PHÉNYLIMIDAZOLE CONVENANT COMME INHIBITEURS DE L'ENZYME PDE10A
  申请人：LUNDBECK & CO AS H

  公开号：WO2009152825A1

  公开（公告）日：2009-12-23

  This invention is directed to compounds, which are PDE10A enzyme inhibitors. The invention provides a pharmaceutical composition comprising a therapeutically effective, amount of a compound of the invention and a pharmaceutically acceptable carrier. The present invention also provides processes for the preparation of the compounds of formula (I). The present invention further provides a method of treating a subject suffering from a neurodegenerative disorder comprising administering to the subject a therapeutically effective amount of a compound of formula (I). The present invention also provides a method of treating a subject suffering from a drug addiction comprising administering to the subject a therapeutically effective amount of a compound of formula (I). The present invention further provides a method of treating a subject suffering from a psychiatric disorder comprising administering to the subject a therapeutically effective amount of a compound of formula (I).

  该发明涉及一种PDE10A酶抑制剂的化合物。该发明提供了一种包含该发明化合物的治疗有效量和药用可接受载体的药物组合物。本发明还提供了一种制备公式（I）化合物的方法。本发明还提供了一种治疗患有神经退行性疾病的受试者的方法，包括向受试者投与公式（I）化合物的治疗有效量。本发明还提供了一种治疗患有药物成瘾的受试者的方法，包括向受试者投与公式（I）化合物的治疗有效量。本发明还提供了一种治疗患有精神障碍的受试者的方法，包括向受试者投与公式（I）化合物的治疗有效量。
• The role of HB-donor groups in the heterocyclic polar fragment of H3-antagonists.
  作者：Valentina Zuliani、Fabrizio Bordi、Mirko Rivara、Claudia Silva、Federica Vacondio、Giovanni Morini、Silvia Rivara、Elisabetta Barocelli、Vigilio Ballabeni、Simona Bertoni、Francesca Magnanini、Pier Vincenzo Plazzi

  DOI：10.1016/s0014-827x(03)00147-2

  日期：2003.9

  best affinity values were obtained with di-methylene chains. Moreover, N-methylation at the 2-aminobenzimidazole moiety 13-16 revealed different behaviour for compounds having different spacer lengths. In fact, methylation of the exocyclic NH group maintained high affinity for the tri-methylene 2-aminobenzimidazole derivative, while a drop in affinity was observed for the annular N-methylation. An opposite

  最近有报道说，由咪唑组成的化合物通过烷基间隔基与2-氨基苯并咪唑连接，对H（3）-受体表现出高亲和力。2-氨基苯并咪唑的胍片段可能与结合位点的氢键相互作用有关，被称为“极性片段”。在目前的工作中，我们从具有二亚甲基间隔基1（pK（i）= 7.25）或三亚甲基1 2（pK（i）= 8.90）的2-氨基苯并咪唑衍生物开始，我们研究了氢键的重要性（HB）供体基团在与H（3）-受体相互作用的极性片段上。用不同的部分取代2-氨基苯并咪唑[2-氨基苯并噻唑，3，4; 2-硫代苯并咪唑，5，6; 2-硫代苯并噻唑，7，8; 2-硫基-4-苯基或2-硫基-5-苯基-N-甲基咪唑，[9-12]强调了极性基团碱性对烷基链最佳长度的影响：较长的间隔基优选具有中等碱性的极性基团，而在存在中性极性基团的情况下，采用亚甲基链。此外，对于具有不同间隔长度的化合物，在2-氨基苯并咪唑部分13-16处的N-甲基化显示出不同
• Phenylimidazole derivatives as PDE10A enzyme inhibitors
  申请人：H. Lundbeck A/S

  公开号：US08133897B2

  公开（公告）日：2012-03-13

  This invention is directed to phenylimidazole compounds, which are PDE10A enzyme inhibitors useful for the treatment of neurological and psychiatric disorders.

  本发明涉及苯基咪唑化合物，它们是PDE10A酶抑制剂，可用于治疗神经系统和精神疾病。