3-(4-甲氧基苯基)-5-甲基-4-异噁唑羰酰氯 | 465514-03-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(4-甲氧基苯基)-5-甲基-4-异噁唑羰酰氯
• 中文别名: 3-(4-甲氧基苯基)-5-甲基-4-异恶唑羰酰氯
• 英文名称: 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride
• 英文别名: 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
• CAS: 465514-03-8
• 化学式: C₁₂H₁₀ClNO₃
• 分子量: 251.66
• InChiKey: FABGSPUDPOKWCR-UHFFFAOYSA-N

物化性质

• 沸点：
  405.8±45.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2934999090

文献信息

• SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS
  申请人：Shipps, JR. Gerald W.

  公开号：US20130225583A1

  公开（公告）日：2013-08-29

  The present invention is directed to substituted amino-triazolyl compounds which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 10 (PDE10). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

  本发明涉及取代氨基三唑化合物，其可用作治疗与磷酸二酯酶10（PDE10）相关的中枢神经系统疾病的治疗剂。本发明还涉及使用这些化合物治疗神经和精神障碍，例如精神分裂症、精神病或亨廷顿病，以及与纹状体低功能或基底节功能障碍相关的疾病。
• [EN] SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS<br/>[FR] AMINO-TRIAZOLYLES INHIBITEURS DE PED10
  申请人：MERCK SHARP & DOHME

  公开号：WO2012054366A2

  公开（公告）日：2012-04-26

  The present invention is directed to substituted amino-triazolyl compounds which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 10 (PDE10). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.