1,2-benzisothiazole-3- | 39566-73-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1,2-benzisothiazole-3-
• 英文别名: N-(2-Chlorethyl)-1,2-benzoisothiazol-3-yl-carboxamid；benzo[d]isothiazole-3-carboxylic acid 2-chloro-ethylamide；N-(2-chloroethyl)-1,2-benzisothiazole-3-carboxamide；N-(2-chloroethyl)-1,2-benzothiazole-3-carboxamide
• CAS: 39566-73-9
• 化学式: C₁₀H₉ClN₂OS
• 分子量: 240.713
• InChiKey: SNGWUGUHTLGHFB-UHFFFAOYSA-N

物化性质

• 沸点：
  389.7±34.0 °C(Predicted)
• 密度：
  1.379±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2-benzisothiazole-3- 、 1-(3-氯苯基)哌嗪 以 various solvent(s) 为溶剂， 反应 24.0h， 生成 N-[2-(1-(3-Chlorophenyl)-4-piperazinyl)ethyl]-1,2-benzisothiazole-3-carboxamide
  参考文献：
  名称：

  Benzisoxazole- and Benzisothiazole-3-carboxamides as Potential Atypical Antipsychotic Agents

  摘要：

  A series of benzisoxazole- and benzisothiazole-3-carboxamides has been prepared and tested for potential antipsychotic activity. In general, the compounds showed an affinity for dopamine D-2 and serotonin 5HT(2A) and 5HT(1A) receptors. Several Members of this series have demonstrated activity in animal models predictive of potential antipsychotic activity. In addition, compounds 18, 19, 22, 27, 28, 43, and 44 have also shown a potential for reduced EPS liability as suggested by the ratio of activity seen in mesolimbic-mediated vs nigrostriatal-mediated behavioral assays.

  DOI：

  10.1021/jm00041a009
• 作为产物：
  描述：

  1,2-苯异噻唑-3-羧酸 在 氯化亚砜 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 1,2-benzisothiazole-3-
  参考文献：
  名称：

  Amoretti; Catellani; Impicciatore, Farmaco, Edizione Scientifica, 1972, vol. 27, # 10, p. 855 - 869

  摘要：

  DOI：

文献信息

• Benzoisothiazole- and benziosoxazole-3-carboxamides
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US05143923A1

  公开（公告）日：1992-09-01

  Novel benzisothiazole- and benzisoxazole-3-carboxamides, processes and intermediates for the preparation thereof, and methods of treating psychoses utilizing compounds and compositions thereof are disclosed.

  揭示了新型苯并异噻唑基和苯并异噁唑基-3-甲酰胺，其制备过程和中间体，以及利用这些化合物和组合物治疗精神病的方法。
• Benzoisothiazole-and benzisoxazole-3-carboxamides
  申请人：Hoechst-Roussel Pharmaceuticals Incorporated

  公开号：US05225412A1

  公开（公告）日：1993-07-06

  Novel benzisothiazole- and benzisoxazole-3-carboxamides, processes and intermediates for the preparation thereof, and methods of treating psychoses utilizing compounds and compositions thereof are disclosed.

  本发明揭示了新型苯并噻唑和苯并异噁唑-3-甲酰胺、其制备过程和中间体，以及利用所述化合物和组合物治疗精神病的方法。
• Hrib Nicholas J., Jurcak John G., Burgher Kendra L., Conway Paul G., Hart+, J. Med. Chem, 37 (1994) N 15, S 2308-2314
  作者：Hrib Nicholas J., Jurcak John G., Burgher Kendra L., Conway Paul G., Hart+

  DOI：——

  日期：——
• Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0511610B1

  公开（公告）日：1996-09-11
• US5143923A
  申请人：——

  公开号：US5143923A

  公开（公告）日：1992-09-01