(E)-2-(4-(1H-pyrazol-1-yl)phenyl)-N'-(4-bromo-3,5-dimethoxybenzylidene)-2-methoxy-N-(2,2,2-trifluoroethyl)acetohydrazide | 1207548-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-2-(4-(1H-pyrazol-1-yl)phenyl)-N'-(4-bromo-3,5-dimethoxybenzylidene)-2-methoxy-N-(2,2,2-trifluoroethyl)acetohydrazide
• 英文别名: N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-(4-pyrazol-1-ylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
• CAS: 1207548-57-9
• 化学式: C₂₃H₂₂BrF₃N₄O₄
• 分子量: 555.351
• InChiKey: TWFZSSQKOXBZON-VFLNYLIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  78.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1-碘-3,3,3-三氟丙烷 、 (E)-2-{4-(1H-pyrazol-1-yl)phenyl}-N'-(4-bromo-3,5-dimethoxybenzylidene)-2-methoxyacetohydrazide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 265.17h， 以28%的产率得到(E)-2-(4-(1H-pyrazol-1-yl)phenyl)-N'-(4-bromo-3,5-dimethoxybenzylidene)-2-methoxy-N-(2,2,2-trifluoroethyl)acetohydrazide
  参考文献：
  名称：

  PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS

  摘要：

  揭示了抑制PDE10的化合物，可用于治疗多种疾病，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑性瘫痪、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱导的精神病和惊恐症以及强迫症。此外，还提供了这些化合物的药用盐、立体异构体、溶剂合物和前药。还揭示了含有化合物的组合物，与药用载体结合，以及与使用这些组合物抑制温血动物中的PDE10相关的方法。

  公开号：

  US20100035872A1

文献信息

• US8377930B2
  申请人：——

  公开号：US8377930B2

  公开（公告）日：2013-02-19
• US9783521B2
  申请人：——

  公开号：US9783521B2

  公开（公告）日：2017-10-10
• [EN] PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS<br/>[FR] INHIBITEURS DE PDE10 ET COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：OMEROS CORP

  公开号：WO2010017236A1

  公开（公告）日：2010-02-11

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette's syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. Pharmaceutically acceptable salts, stereoisomers, solvates and prodrugs of the compounds are also provided. Also disclosed are compositions containing a compound in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.
• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Cutshall Neil S.

  公开号：US20100035872A1

  公开（公告）日：2010-02-11

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette's syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. Pharmaceutically acceptable salts, stereoisomers, solvates and prodrugs of the compounds are also provided. Also disclosed are compositions containing a compound in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  揭示了抑制PDE10的化合物，可用于治疗多种疾病，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑性瘫痪、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱导的精神病和惊恐症以及强迫症。此外，还提供了这些化合物的药用盐、立体异构体、溶剂合物和前药。还揭示了含有化合物的组合物，与药用载体结合，以及与使用这些组合物抑制温血动物中的PDE10相关的方法。