ethyl 7-{N-[4-hydroxy-5-(4-fluorophenylthio)pentyl]methanesulfonamido}-heptanoate | 67587-40-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: ethyl 7-{N-[4-hydroxy-5-(4-fluorophenylthio)pentyl]methanesulfonamido}-heptanoate
• 英文别名: ethyl 7-[[5-(4-fluorophenyl)sulfanyl-4-hydroxypentyl]-methylsulfonylamino]heptanoate
• CAS: 67587-40-0
• 化学式: C₂₁H₃₄FNO₅S₂
• 分子量: 463.635
• InChiKey: HIWVTMPBBYBFLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  583.0±60.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 7-{N-[4-hydroxy-5-(4-fluorophenylthio)pentyl]methanesulfonamido}-heptanoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 7-{N-[4-Hydroxy-5-(4-fluorophenylthio)pentyl]-methanesulfonamido}heptanoic Acid
  参考文献：
  名称：

  11,12-Secoprostaglandins. 5. 8-Acetyl- or8-(1-hydroxyethyl)-12-hydroxy-13-aryloxytridecanoic acids and sulfonamide isosteres as inhibitors of platelet aggregation

  摘要：

  The synthesis of a series of 8-acetyl- (or 1-hydroxyethyl-) 12-hydroxy-13-aryloxytridecanoic acids and their sulfonamide isosteres is described. These compounds are formally derived from members of earlier reported series of modified secoprostaglandins by replacing the omega-butyl chain termini by substituted aryloxy groups. A number of these compounds are potent inhibitors of collagen-induced blood platelet aggregation in guinea pigs on oral administration.

  DOI：

  10.1021/jm00208a003
• 作为产物：
  描述：

  ethyl 7-[N-(4,5-epoxypentyl)methanesulfonamido]heptanoate 、 对氟苯硫酚 生成 ethyl 7-{N-[4-hydroxy-5-(4-fluorophenylthio)pentyl]methanesulfonamido}-heptanoate
  参考文献：
  名称：

  11,12-Secoprostaglandins. 5. 8-Acetyl- or8-(1-hydroxyethyl)-12-hydroxy-13-aryloxytridecanoic acids and sulfonamide isosteres as inhibitors of platelet aggregation

  摘要：

  The synthesis of a series of 8-acetyl- (or 1-hydroxyethyl-) 12-hydroxy-13-aryloxytridecanoic acids and their sulfonamide isosteres is described. These compounds are formally derived from members of earlier reported series of modified secoprostaglandins by replacing the omega-butyl chain termini by substituted aryloxy groups. A number of these compounds are potent inhibitors of collagen-induced blood platelet aggregation in guinea pigs on oral administration.

  DOI：

  10.1021/jm00208a003

文献信息

• 16-Ethers of 8-aza-9-dioxothia-11,12-seco-prostaglandins
  申请人：Merck & Co., Inc.

  公开号：US03991106A1

  公开（公告）日：1976-11-09

  The invention is concerned with novel 16-aryloxy-, 16-alkoxy-, 16-arylthio- and 16-alkylthio-8-aza-9-dioxothia-11,12-seco-prostaglandins and processes for their preparation. These novel compounds are useful as pharmaceuticals since they can be used in animals for estrus synchronization and treatment of infertility due to persistence of luteal function.

  本发明涉及新型的16-芳氧基、16-烷氧基、16-芳硫基和16-烷硫基-8-氮杂-9-二氧硫-11,12-环丙孕酮类化合物及其制备方法。这些新型化合物可作为药物使用，因为它们可用于动物的发情同步和治疗黄体功能持续引起的不育症。
• 11,12-Seco-prostaglandins
  申请人：Merck & Co., Inc.

  公开号：US04055596A1

  公开（公告）日：1977-10-25

  The invention is concerned with novel 16-aryloxy-, 16-alkoxy-, 16-arylthio- and 16-alkylthio-8-aza-9-dioxothia-11,12-seco-prostaglandins and processes for their preparation. These novel compounds are useful as pharmaceuticals since they can be used in animals for estrus synchronization and treatment of infertility due to persistence of luteal function.

  该发明涉及一种新型的16-芳氧基、16-烷氧基、16-芳硫基和16-烷硫基-8-氮杂-9-二氧硫-11,12-去环前列腺素以及它们的制备方法。这些新型化合物可用作药物，因为它们可用于动物的发情同步和治疗黄体功能持续引起的不孕症。
• US3991106A
  申请人：——

  公开号：US3991106A

  公开（公告）日：1976-11-09
• US4055596A
  申请人：——

  公开号：US4055596A

  公开（公告）日：1977-10-25
• 11,12-Secoprostaglandins. 5. 8-Acetyl- or8-(1-hydroxyethyl)-12-hydroxy-13-aryloxytridecanoic acids and sulfonamide isosteres as inhibitors of platelet aggregation
  作者：John B. Bicking、James H. Jones、Wilbur J. Holtz、Charles M. Robb、Frederick A. Kuehl、David H. Minsker、Edward J. Cragoe

  DOI：10.1021/jm00208a003

  日期：1978.10

  The synthesis of a series of 8-acetyl- (or 1-hydroxyethyl-) 12-hydroxy-13-aryloxytridecanoic acids and their sulfonamide isosteres is described. These compounds are formally derived from members of earlier reported series of modified secoprostaglandins by replacing the omega-butyl chain termini by substituted aryloxy groups. A number of these compounds are potent inhibitors of collagen-induced blood platelet aggregation in guinea pigs on oral administration.