methyl 2-(benzo[b]thiophen-2-yl)-2-methoxyacetate | 1207550-32-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: methyl 2-(benzo[b]thiophen-2-yl)-2-methoxyacetate
• 英文别名: methyl 2-(1-benzothiophen-2-yl)-2-methoxyacetate
• CAS: 1207550-32-0
• 化学式: C₁₂H₁₂O₃S
• 分子量: 236.291
• InChiKey: VIBJMVRDXMBGMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-(benzo[b]thiophen-2-yl)-2-methoxyacetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以100%的产率得到2-(benzo[b]thiophen-2-yl)-2-methoxyacetohydrazide
  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
• 作为产物：
  描述：

  甲醇 、 2-(benzo[b]thiophen-2-yl)-2-hydroxyacetic acid 在 硫酸 作用下， 反应 22.5h， 以35%的产率得到methyl 2-(benzo[b]thiophen-2-yl)-2-methoxyacetate
  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

• PDE10 inhibitors and related compositions and methods
  申请人：Cutshall Neil S.

  公开号：US08377930B2

  公开（公告）日：2013-02-19

  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.

  本文披露了抑制PDE10的化合物，该化合物在治疗多种疾病方面具有用途，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、贝尔氏麻痹症、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱发的精神病和惊恐和强迫症。此外，还提供了该化合物的药物可接受的盐、立体异构体、溶剂物和前药。本文还披露了含有化合物与药物可接受的载体组合的组合物，以及与使用该组合物抑制需要同样的温血动物的PDE10相关的方法。
• 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。