(4-Isothiocyanatophenyl) 2-[3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propanoyloxy]benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: (4-Isothiocyanatophenyl) 2-[3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propanoyloxy]benzoate
• 英文别名: (4-isothiocyanatophenyl) 2-[3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propanoyloxy]benzoate
• 化学式: C25H17N3O7S
• 分子量: 503.5
• InChiKey: DETNXUYAWFROIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  158
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• NO- AND H2S- RELEASING COMPOUNDS
  申请人：Kashfi Khosrow

  公开号：US20140221316A1

  公开（公告）日：2014-08-07

  This disclosure relates to novel compounds containing an H 2 S releasing moiety and a nitric oxide (NO) releasing moiety covalently linked with a core (e.g., a salicylic acid moiety) and the use of such compounds in treating inflammatory diseases, including cancers. Therapeutic potency of these compounds is significantly higher than NSAIDs containing a H 2 S-releasing moiety alone (HS-NSAIDs) and NSAID containing a NO-releasing moiety alone (NO-NSAIDs). The compounds, in addition, exhibit reduced side effect, e.g., reduced stomach ulcers, upon administration.

  本公开涉及新型化合物，其包含一个释放H2S的基团和一个共价连接于核心（例如水杨酸基团）的释放一氧化氮（NO）的基团，并且这些化合物的用途是治疗炎症性疾病，包括癌症。这些化合物的治疗效力明显高于仅含有释放H2S的基团（HS-NSAIDs）和仅含有释放NO的基团（NO-NSAIDs）的非甾体类抗炎药（NSAIDs）。此外，这些化合物在治疗中表现出较少的副作用，例如减少胃溃疡。
• Method of Priming Plants Against Abiotic Stress Factors
  申请人：Research Foundation of the City University of New York

  公开号：US20170174651A1

  公开（公告）日：2017-06-22

  A method of reducing cellular damage to a plant by treating the plant with a compound containing an NO-releasing moiety and an H 2 S-releasing moiety covalently bonded to an aspirin derived core or a NOSH compound is claimed. The compounds may also be used in a method of priming a plant against abiotic stress factors and a method of promoting plant growth.
• US9688607B2
  申请人：——

  公开号：US9688607B2

  公开（公告）日：2017-06-27