2-(氯甲基)-5-甲氧基-1,3-苯并恶唑 | 63842-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 2-(氯甲基)-5-甲氧基-1,3-苯并恶唑
• 英文名称: 2-(chloromethyl)-5-methoxybenzo[d]oxazole
• 英文别名: 2-(Chloromethyl)-5-methoxy-1,3-benzoxazole
• CAS: 63842-21-7
• 化学式: C₉H₈ClNO₂
• 分子量: 197.621
• InChiKey: RPNWQYOIWIVPTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  284.8±20.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4H-吡唑并[3,4-d]嘧啶-4-酮,1,5,6,7-四氢-1-苯基-6-硫代- 、 2-(氯甲基)-5-甲氧基-1,3-苯并恶唑 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以23%的产率得到6-(((5-methoxybenzo[d]oxazol-2-yl)methyl)thio)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  参考文献：
  名称：

  EP3892623

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基-4-甲氧基苯酚 、 氯乙酰氯 在 三乙胺 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 17.0h， 以43%的产率得到2-(氯甲基)-5-甲氧基-1,3-苯并恶唑
  参考文献：
  名称：

  EP3892623

  摘要：

  公开号：

文献信息

• COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP3892623A1

  公开（公告）日：2021-10-13

  The present invention provides a compound having a specific chemical structure and having PDE9A inhibitory activity, or a pharmaceutically acceptable salt thereof. The present invention provides a composition containing the compound or a pharmaceutically acceptable salt thereof. The present invention provides a pharmaceutical use, for treating or preventing PDE9A-related diseases, of the compound according to the present invention, a salt thereof, and a composition containing the compound or salt. The present invention also provides a method for treating or preventing PDE9A-related diseases, the method comprising administering an effective amount of the compound according to the present invention, a salt thereof, or a composition containing the compound or salt to a subject in need of treatment.

  本发明提供了一种具有特定化学结构并具有 PDE9A 抑制活性的化合物或其药学上可接受的盐。本发明提供了一种含有该化合物或其药学上可接受的盐的组合物。本发明提供了根据本发明的化合物、其盐和含有该化合物或盐的组合物的药物用途，用于治疗或预防 PDE9A 相关疾病。本发明还提供了一种治疗或预防PDE9A相关疾病的方法，该方法包括向需要治疗的受试者施用有效量的根据本发明的化合物、其盐或含有该化合物或盐的组合物。
• Discovery and optimization of novel fatty acid transport protein 1 (FATP1) inhibitors
  作者：Tetsuyoshi Matsufuji、Mika Ikeda、Asuka Naito、Masakazu Hirouchi、Hideo Takakusa、Shoichi Kanda、Masanori Izumi、Jun Harada、Tsuyoshi Shinozuka

  DOI：10.1016/j.bmcl.2012.05.130

  日期：2012.8

  The discovery, optimization and structure-activity relationship of novel FATP1 inhibitors have been described. The detailed SAR studies of each moiety of the inhibitors combined with metabolite analysis led to the identification of the potent inhibitors 11p and 11q with improved blood stability. (C) 2012 Elsevier Ltd. All rights reserved.
• [EN] COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF<br/>[FR] COMPOSÉS AYANT UNE ACTIVITÉ INHIBITRICE DE PDE9A ET LEURS UTILISATIONS PHARMACEUTIQUES<br/>[KO] PDE9A 저해 활성을 가지는 화합물 및 이들의 의약 용도
  申请人：KOREA RES INST CHEMICAL TECH

  公开号：WO2020116971A1

  公开（公告）日：2020-06-11

  본 발명은 PDE 9A를 저해하는 활성을 갖는 특정 화학구조의 화합물 또는 이의 약학적으로 허용 가능한 염을 제공한다. 본 발명은 이러한 화합물 또는 이의 약학적으로 허용 가능한 염을 포함하는 조성물을 제공한다. 본 발명은 본 발명에 따른 화합물, 이의 염 및 이들을 포함하는 조성물의 PDE 9A 관련 질환의 치료 또는 예방용 의약 용도를 제공한다. 본 발명은 또한 본 발명에 따른 화합물, 이의 염 또는 이들을 포함하는 조성물의 유효한 양을 치료가 필요한 개체에게 투여하는 것을 포함하는 PDE 9A 관련 질환의 치료 또는 예방 방법을 제공한다.
• EP3892623
  申请人：——

  公开号：——

  公开（公告）日：——