2-methylsulfonylsulfanylethyl 2-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]oxy-3-(4-nitrooxybutoxy)propanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 2-methylsulfonylsulfanylethyl 2-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]oxy-3-(4-nitrooxybutoxy)propanoate
• 化学式: C30H34FNO11S3
• 分子量: 699.8
• InChiKey: BSPWFMXLGMSPIY-XYGWBWBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  46
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  221
• 氢给体数：
  0
• 氢受体数：
  14

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 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。
• NO- and H2S-releasing compounds
  申请人：RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK

  公开号：US10450260B2

  公开（公告）日：2019-10-22

  This disclosure relates to compounds containing both an NO-releasing moiety and an H2S-releasing moiety and the use of such compounds in treating inflammatory diseases, including cancers.

  本公开涉及同时含有释放 NO 的分子和释放 H2S 的分子的化合物，以及此类化合物在治疗炎症性疾病（包括癌症）中的应用。
• US9688607B2
  申请人：——

  公开号：US9688607B2

  公开（公告）日：2017-06-27