N-(4-carboxybutanoyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane | 322409-60-9

• 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: N-(4-carboxybutanoyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
• 英文别名: 5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic Acid
• CAS: 322409-60-9
• 化学式: C₁₅H₂₇NO₇
• 分子量: 333.382
• InChiKey: WEOICWXRWKFBII-UHFFFAOYSA-N

物化性质

• 沸点：
  569.8±50.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)
• 溶解度：
  48.2 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  94.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  戊二酸酐 、 氮杂-15-冠醚-5 以 四氢呋喃 为溶剂， 生成 N-(4-carboxybutanoyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
  参考文献：
  名称：

  An artificial aspartic proteinase system

  摘要：

  A series of aza crown ether derivatives with or without carboxyl groups in their side arms were synthesized and the former showed deacylation activities toward amino acid p-nitrophenyl ester hydrohalides. Substrate-selective phenomena were also observed. The relationship between the structures and deacylation activities of corresponding compounds suggested a nucleophilic catalytic mechanism. The results partially simulate some aspartic proteinases in the case of catalytic mechanism and are also useful for us to understand the detailed catalytic process of aspartic proteinases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.026