(S)-N-[2-(2-Fluorobenzo[b]thiophen-5-ylmethanesulfonyl)-1-(4-methylphenyl)ethyl]-N-hydroxyformamide | 376387-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (S)-N-[2-(2-Fluorobenzo[b]thiophen-5-ylmethanesulfonyl)-1-(4-methylphenyl)ethyl]-N-hydroxyformamide
• 英文别名: N-[(1S)-2-[(2-fluoro-1-benzothiophen-5-yl)methylsulfonyl]-1-(4-methylphenyl)ethyl]-N-hydroxyformamide
• CAS: 376387-62-1
• 化学式: C₁₉H₁₈FNO₄S₂
• 分子量: 407.487
• InChiKey: YHTXSXTTXBPGJD-QGZVFWFLSA-N

物化性质

• 沸点：
  679.4±65.0 °C(predicted)
• 密度：
  1.435±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Compositions of stable bioactive metabolites of docosahexaenoic (DHA) and eicosapentaenoic (EPA) acids
  申请人：Ghosal Shibnath

  公开号：US20050282781A1

  公开（公告）日：2005-12-22

  An invention that adduces cogent evidence to establish that oxygenated dibenzo-α-pyrones (DBPs and their conjugates), the major bioactives of shilajit (Ayurvedic vitalizer), have their origin, at least partly, in EPA and DHA. Earlier research has shown that, in mammals, C-20 PUFAs are metabolized by oxygenases and other enzymes to produce short-lived prostaglandins, leukotrienes and thromboxanes that bind to specific G-protein-coupled receptors and signal cellular responses, e.g., inflammation, vasodilation, blood pressure, pain etc. But never before it was suggested/shown that C 20:5n-3 (and C 22:6 n-3 ) PUFAs, e.g., EPA (and DHA), are transformed into stable aromatic metabolites, DBPs, which elicit a large array of bioactivities in the producer organisms and also control the synthesis and metabolism of arachidonate-derived prostaglandins. The major beneficial effects attributed to EPA and DHA are now found to be largely contributed by DBPs and their aminoacyl conjugates and the dibenzo-α-pyrone-chromoproteins (DCPs). Because of the highly unstable nature of EPA and DHA, when administered, they are metabolized into a large array of uncontrolled products, several of which are systemically undesirable. By contrast, DBPs, because of their stability, perform the biological response modifier (BRM) functions in a directed and sustained way. Many of the biological effects of DBPs described in this invention, were earlier attributed to EPA and DHA,—the precursors of DBPs.

  一项发明提供了有力证据，证明含氧二苯并-α-吡喃酮（DBPs及其共轭物）是希拉吉（阿育吠陀活力剂）的主要生物活性成分，其起源至少部分源自EPA和DHA。早期研究表明，在哺乳动物中，C-20多不饱和脂肪酸通过氧化酶和其他酶代谢，产生短寿命的前列腺素、白三烯和血栓素，这些物质结合特定的G蛋白偶联受体并传递细胞反应，如炎症、血管舒张、血压、疼痛等。但以前从未提出/展示过C20:5n-3（和C22:6 n-3）多不饱和脂肪酸，如EPA（和DHA），会转化为稳定的芳香代谢物DBPs，这些物质在生产者生物体中引发大量生物活性，并且还控制花生四烯酸衍生的前列腺素的合成和代谢。现在，归因于EPA和DHA的主要益处效应在很大程度上是由DBPs及其氨酰共轭物和二苯并-α-吡喃酮-色蛋白（DCPs）贡献的。由于EPA和DHA的高度不稳定性，当其被施用时，它们会代谢成大量无法控制的产物，其中一些在全身上是不可取的。相比之下，由于其稳定性，DBPs以有针对性和持续的方式执行生物反应调节剂（BRM）功能。本发明描述的DBPs的许多生物效应，以前被归因于EPA和DHA，即DBPs的前体。
• Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides
  申请人：——

  公开号：US20040024066A1

  公开（公告）日：2004-02-05

  Compounds of formula (I): 1 R is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl or heterocyclyl; and R 1 is bicyclyl or heterobicyclyl, are useful in the treatment and prophylaxis of conditions mediated by s-CD23.

  式(I)的化合物：1R是氢，烷基，烯基，炔基，芳基，杂芳基或杂环烷基；和R1是双环烷基或杂双环烷基，对由s-CD23介导的疾病的治疗和预防具有用处。
• Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides
  申请人：Best John Desmond

  公开号：US20050288376A1

  公开（公告）日：2005-12-29

  Compounds of formula (I): R is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl or heterocyclyl; and R 1 is bicyclyl or heterobicyclyl, are useful in the treatment and prophylaxis of conditions mediated by s-CD23.

  式(I)的化合物： 其中R为氢、烷基、烯基、炔基、芳基、杂芳基或杂环基； R1为双环或杂双环基， 可用于治疗和预防由s-CD23介导的疾病。
• Pharmaceutical composition comprising L-carnitine or an alkanoyl L-carnitine in combination with a polyunsaturated fatty acid of the omega-3 series for the prevention and the treatment of lipid metabolism disorders
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0780124A1

  公开（公告）日：1997-06-25

  A novel therapeutic use of L-carnitine or alkanoyl L-carnitine is disclosed in combination with a polyunsaturated fatty acid of the omega-3 series, for the prevention and the treatment of lipid metabolism disorders and cardiovascular disorders.

  本研究公开了左旋肉碱或烷酰左旋肉碱与欧米伽-3 系列多不饱和脂肪酸结合使用的一种新型治疗方法，用于预防和治疗脂质代谢紊乱和心血管疾病。
• EP0188573A4
  申请人：——

  公开号：EP0188573A4

  公开（公告）日：1987-03-30