2-(4-(1H-1,2,4-triazol-1-yl)phenyl)-2-methoxyacetic acid | 1333472-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(1H-1,2,4-triazol-1-yl)phenyl)-2-methoxyacetic acid
• 英文别名: 2-Methoxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
• CAS: 1333472-85-7
• 化学式: C₁₁H₁₁N₃O₃
• 分子量: 233.227
• InChiKey: SWCAJGDEMKSDCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  452.9±55.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-(1H-1,2,4-triazol-1-yl)phenyl)-2-methoxyacetic acid 在 硫酸 、 溶剂黄146 、 肼 作用下， 以 乙醇 为溶剂， 生成 N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
  参考文献：
  名称：

  Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia

  摘要：

  A series of 2-methoxyacylhydrazones were optimized to yield compounds with high affinity for PDE10A. Several compounds demonstrated efficacy in animal models of schizophrenia, including conditioned avoidance response and a pro-psychotic phencyclidine hyperactivity model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.007
• 作为产物：
  描述：

  甲醇 、 三溴甲烷 、 4-(1-1,2,4-三唑基)苯甲醛 在 potassium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-(4-(1H-1,2,4-triazol-1-yl)phenyl)-2-methoxyacetic acid
  参考文献：
  名称：

  Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia

  摘要：

  A series of 2-methoxyacylhydrazones were optimized to yield compounds with high affinity for PDE10A. Several compounds demonstrated efficacy in animal models of schizophrenia, including conditioned avoidance response and a pro-psychotic phencyclidine hyperactivity model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.007

文献信息

• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Cutshall Neil S.

  公开号：US20110224202A1

  公开（公告）日：2011-09-15

  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，对治疗多种疾病有用，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、脑瘫、睡眠障碍、疼痛、抽动综合征、精神分裂症、妄想症、药物诱发的精神病、恐慌和强迫症。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与药用载体组合的组合物，以及与使用有关的方法，用于在需要的温血动物中抑制PDE10。
• PDE10 inhibitors and related compositions and methods
  申请人：Omeros Corporation

  公开号：US10106516B2

  公开（公告）日：2018-10-23

  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.

  已公开的抑制 PDE10 的化合物可用于治疗多种疾病，包括（但不限于）精神病、焦虑症、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、贝尔麻痹、脑瘫、睡眠障碍、疼痛、抽动秽语症、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏麻痹、大脑性麻痹、睡眠障碍、疼痛、抽动秽语综合征、精神分裂症、妄想症、药物性精神病以及恐慌症和强迫症。还提供了这些化合物的药学上可接受的盐、立体异构体、溶解物和原药。还公开了含有与药学上可接受的载体结合的化合物的组合物，以及有关使用其在需要的温血动物中抑制 PDE10 的方法。
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  公开号：US8343970B2

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