ethyl 7-[methylsulfonyl(2-oxoethyl)amino]hept-5-ynoate | 63857-30-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 7-[methylsulfonyl(2-oxoethyl)amino]hept-5-ynoate
• CAS: 63857-30-7
• 化学式: C₁₂H₁₉NO₅S
• 分子量: 289.353
• InChiKey: NSUQXFFXLMMKCV-UHFFFAOYSA-N

物化性质

• 沸点：
  420.2±55.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  19.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  80.75
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 7-[methylsulfonyl(2-oxoethyl)amino]hept-5-ynoate 生成 (Z)-7-{[(E)-4-Hydroxy-5-(3-trifluoromethyl-phenoxy)-pent-2-enyl]-methanesulfonyl-amino}-hept-5-enoic 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：

  氨基乙醛缩二乙醇 、 甲基磺酰氯 、 ethyl 7-bromo-5-heptynoate 生成 ethyl 7-[methylsulfonyl(2-oxoethyl)amino]hept-5-ynoate
  参考文献：
  名称：

  11,12-Secoprostaglandins. 4. 7-(N-Alkylmethanesulfonamido)heptanoic acids

  摘要：

  A series of 7-(N-alkylmethanesulfonamido) heptanoic acids has been prepared which represents an extension of our 8-aza-11,12-secoprostaglandin studies. The studies. The compounds mimic the natural prostaglandins in that they markedly stimulate cAMP formation in the mouse ovary assay.

  DOI：

  10.1021/jm00220a014