7-[((E)-4-Acetoxy-non-2-enyl)-cyano-amino]-heptanoic acid ethyl ester | 61042-51-1

• 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: 7-[((E)-4-Acetoxy-non-2-enyl)-cyano-amino]-heptanoic acid ethyl ester
• 英文别名: Ethyl 7-{[4-(acetyloxy)non-2-EN-1-YL](cyano)amino}heptanoate；ethyl 7-[4-acetyloxynon-2-enyl(cyano)amino]heptanoate
• CAS: 61042-51-1
• 化学式: C₂₁H₃₆N₂O₄
• 分子量: 380.528
• InChiKey: BJGQBXPXYOKUQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-[((E)-4-Acetoxy-non-2-enyl)-cyano-amino]-heptanoic acid ethyl ester 生成 7-[1-((E)-4-Hydroxy-non-2-enyl)-ureido]-heptanoic acid
  参考文献：
  名称：

  11,12-Secoprostaglandins. 2. N-Acyl-N-alkyl-7-aminoheptanoic acids

  摘要：

  A series of N-acyl-N-alkyl-7-aminoheptanoic acids has been prepared and evaluated for their ability to mimic the natural prostaglandins in certain biological systems. These compounds can be regarded as 8-aza-11,12-secoprostaglandins and, indeed, most of them stimulate cAMP formation in the mouse ovary assay, just as is observed with the natural prostaglandins. Selected compounds from this series also have been studied and shown to have prostaglandin-like effects in vivo.

  DOI：

  10.1021/jm00211a008
• 作为产物：
  描述：

  7-氨基庚酸 在 对甲苯磺酸 作用下， 生成 7-[((E)-4-Acetoxy-non-2-enyl)-cyano-amino]-heptanoic acid ethyl ester
  参考文献：
  名称：

  11,12-Secoprostaglandins. 2. N-Acyl-N-alkyl-7-aminoheptanoic acids

  摘要：

  A series of N-acyl-N-alkyl-7-aminoheptanoic acids has been prepared and evaluated for their ability to mimic the natural prostaglandins in certain biological systems. These compounds can be regarded as 8-aza-11,12-secoprostaglandins and, indeed, most of them stimulate cAMP formation in the mouse ovary assay, just as is observed with the natural prostaglandins. Selected compounds from this series also have been studied and shown to have prostaglandin-like effects in vivo.

  DOI：

  10.1021/jm00211a008

文献信息

• 11,12-Secoprostaglandins. 2. N-Acyl-N-alkyl-7-aminoheptanoic acids
  作者：James H. Jones、Wilbur J. Holtz、John B. Bicking、Edward J. Cragoe、Lewis R. Mandel、Frederick A. Kuehle

  DOI：10.1021/jm00211a008

  日期：1977.1

  A series of N-acyl-N-alkyl-7-aminoheptanoic acids has been prepared and evaluated for their ability to mimic the natural prostaglandins in certain biological systems. These compounds can be regarded as 8-aza-11,12-secoprostaglandins and, indeed, most of them stimulate cAMP formation in the mouse ovary assay, just as is observed with the natural prostaglandins. Selected compounds from this series also have been studied and shown to have prostaglandin-like effects in vivo.