3-Methyl-benzo[d]isothiazole-5-carbonitrile | 943845-25-8

• 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: 3-Methyl-benzo[d]isothiazole-5-carbonitrile
• 英文别名: 3-Methyl-1,2-benzisothiazole-5-carbonitrile；3-methyl-1,2-benzothiazole-5-carbonitrile
• CAS: 943845-25-8
• 化学式: C₉H₆N₂S
• 分子量: 174.226
• InChiKey: JSXQYSNGAYESRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  64.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methyl-benzo[d]isothiazole-5-carbonitrile 在 盐酸 、 氯化亚砜 作用下， 以 苯 为溶剂， 反应 7.0h， 生成 3-Methyl-benzo[d]isothiazole-5-carbonyl chloride
  参考文献：
  名称：

  McKinnon, David M.; Abouzeid, A. A., Journal of Heterocyclic Chemistry, 1991, vol. 28, # 3, p. 749 - 752

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基-5-硝基苯并异噻唑 在 盐酸 、 水 、 铁粉 、 溶剂黄146 、 sodium nitrite 作用下， 反应 5.0h， 生成 3-Methyl-benzo[d]isothiazole-5-carbonitrile
  参考文献：
  名称：

  McKinnon, David M.; Abouzeid, A. A., Journal of Heterocyclic Chemistry, 1991, vol. 28, # 3, p. 749 - 752

  摘要：

  DOI：

文献信息

• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• HETEROBICYCLIC METALLOPROTEASE INHIBITORS
  申请人：Steeneck Christoph

  公开号：US20120015920A1

  公开（公告）日：2012-01-19

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• US7795245B2
  申请人：——

  公开号：US7795245B2

  公开（公告）日：2010-09-14