1,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one | 62673-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 1,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one
• 英文别名: 3a,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one
• CAS: 62673-88-5
• 化学式: C₆H₈N₂OS
• 分子量: 156.208
• InChiKey: QNFWVOAVWAATCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢-4-氧代-2H-噻喃-3-甲酸甲酯 在 肼 作用下， 以 甲醇 为溶剂， 生成 1,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one
  参考文献：
  名称：

  Synthesis and biological activity of some derivatives of thiochroman-4-one and tetrahydrothiapyran-4-one

  摘要：

  A small series of pyrazoles and isoxazoles derived from thiochroman-4-one has been synthesized and characterized. The compounds were examined for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Among the tested compounds the pyrazole derivative from thiochroman-4-one was found to be the most effective inhibitor of growth of B. subtilis. Extensive H NMR analysis was recorded for all compounds.

  DOI：

  10.1021/jm00216a024

文献信息

• Pyrazolone derivatives as nitroxyl donors
  申请人：Cardioxyl Pharmaceuticals, Inc.

  公开号：US10723704B2

  公开（公告）日：2020-07-28

  The disclosed subject matter provides pyrazolone derivative compounds, pharmaceutical compositions comprising such compounds, kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions. In particular, the disclosed subject matter provides methods of using such compounds or pharmaceutical compositions for treating heart failure.

  所公开的主题提供了吡唑酮衍生物化合物、包含此类化合物的药物组合物、包含此类化合物的试剂盒以及使用此类化合物或药物组合物的方法。 特别是，所公开的主题提供了使用此类化合物或药物组合物治疗心力衰竭的方法。
• PYRAZOLONE DERIVATIVES AS NITROXYL DONORS
  申请人：Cardioxyl Pharmaceuticals, Inc.

  公开号：US20180318308A1

  公开（公告）日：2018-11-08

  The disclosed subject matter provides pyrazolone derivative compounds, pharmaceutical compositions comprising such compounds, kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions. In particular, the disclosed subject matter provides methods of using such compounds or pharmaceutical compositions for treating heart failure.
• Synthesis and biological activity of some derivatives of thiochroman-4-one and tetrahydrothiapyran-4-one
  作者：K. Ramalingam、George X. Thyvelikakath、K. Darrell Berlin、Robert W. Chesnut、Rebecca A. Brown、Norman N. Durham、Steven E. Ealick、Dick Van der Helm

  DOI：10.1021/jm00216a024

  日期：1977.6

  A small series of pyrazoles and isoxazoles derived from thiochroman-4-one has been synthesized and characterized. The compounds were examined for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Among the tested compounds the pyrazole derivative from thiochroman-4-one was found to be the most effective inhibitor of growth of B. subtilis. Extensive H NMR analysis was recorded for all compounds.