1-(4-羟基-2-甲基苯基)-3-[3-(三氟甲基)苯基]脲 | 625118-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-羟基-2-甲基苯基)-3-[3-(三氟甲基)苯基]脲
• 英文名称: N-(4-hydroxy-6-methyl-phenyl)-N'-(3-trifluoromethyl-phenyl)urea
• 英文别名: N-(4-hydroxy-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]urea；Urea, N-(4-hydroxy-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]-；1-(4-hydroxy-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
• CAS: 625118-43-6
• 化学式: C₁₅H₁₃F₃N₂O₂
• 分子量: 310.276
• InChiKey: HDNTXGPZSHXXNF-UHFFFAOYSA-N

物化性质

• 沸点：
  331.2±42.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氨基-3-甲基苯酚 、 3-(三氟甲基)异氰酸苯酯 在 氨 作用下， 以 甲醇 、 水 为溶剂， 反应 0.33h， 以34%的产率得到1-(4-羟基-2-甲基苯基)-3-[3-(三氟甲基)苯基]脲
  参考文献：
  名称：

  Positive allosteric modulators of the nicotinic acetylcholine receptor

  摘要：

  这项发明提供了I式化合物： 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对治疗已知涉及α7 nAChR的疾病或症状的药物非常有用。

  公开号：

  US20030236287A1

文献信息

• Novel urea derivatives and their medical use
  申请人：Dahl H. Bjarne

  公开号：US20070142450A1

  公开（公告）日：2007-06-21

  This invention relates to novel urea derivatives, which are found to be modulators of the nicotinic acetylcholine receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型脲衍生物，其被发现是乙酰胆碱受体的调节剂。由于它们的药理特性，本发明中的化合物可能对与中枢神经系统（CNS）和周围神经系统（PNS）的胆碱能系统相关的疾病或疾病，与平滑肌收缩有关的疾病或疾病，内分泌疾病或疾病，与神经退行性有关的疾病或疾病，与炎症、疼痛和化学物质滥用终止引起的戒断症状相关的疾病或疾病的治疗可能有用。
• PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER
  申请人：Olsen Gunnar M.

  公开号：US20100234349A1

  公开（公告）日：2010-09-16

  This invention relates to novel pharmaceutical compositions comprising therapeutically effective combination of a positive allosteric modulator of nicotine receptors; and a cognitive enhancer selected from the group consisting of a nicotine acetylcholine receptor agonist, an acetylcholine esterase inhibitor, a positive AMPA receptor modulator, an antipsychotic drug, an antidepressant drug and an anti Parkinson drug. The pharmaceutical compositions for use according to the invention are contemplated particularly useful for combating cognitive disorders.

  本发明涉及一种新型药物组合物，包括治疗有效的尼古丁受体正向变构调节剂和从以下组中选择的认知增强剂：尼古丁乙酰胆碱受体激动剂、乙酰胆碱酯酶抑制剂、正向AMPA受体调节剂、抗精神病药物、抗抑郁药物和抗帕金森药物。本发明的药物组合物特别适用于对抗认知障碍。
• Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer
  申请人：NeuroSearch AS

  公开号：EP2255848A2

  公开（公告）日：2010-12-01

  This invention relates to novel pharmaceutical compositions comprising therapeutically effective combination of a positive allosteric modulator of nicotine receptors; and a cognitive enhancer selected from the group consisting of a nicotine acetylcholine receptor agonist, an acetylcholine esterase inhibitor, a positive AMPA receptor modulator, an antipsychotic drug, an antidepressant drug and an anti Parkinson drug. The pharmaceutical compositions for use according to the invention are contemplated particularly useful for combating cognitive disorders.

  本发明涉及新型药物组合物，其中包含尼古丁受体正性异位调节剂与认知增强剂的治疗有效组合，认知增强剂选自尼古丁乙酰胆碱受体激动剂、乙酰胆碱酯酶抑制剂、AMPA受体正性调节剂、抗精神病药物、抗抑郁药物和抗帕金森药物组成的组。根据本发明使用的药物组合物尤其适用于防治认知障碍。
• [EN] POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTERIQUES POSITIFS DE RECEPTEUR NICOTINIQUE DE L'ACETYLCHOLINE
  申请人：UPJOHN CO

  公开号：WO2003093250A2

  公开（公告）日：2003-11-13

  The invention provides compounds of Formula I: (1) these compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful in pharmaceuticals used to treat diseases or conditions in which α7 nAChR is known to be involved.
• Positive allosteric modulators of the nicotinic acetylcholine receptor
  申请人：——

  公开号：US20030236287A1

  公开（公告）日：2003-12-25

  The invention provides compounds of Formula I: 1 These compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful in pharmaceuticals used to treat diseases or conditions in which &agr;7 nAChR is known to be involved.

  这项发明提供了I式化合物： 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对治疗已知涉及α7 nAChR的疾病或症状的药物非常有用。