urobilinogen dimethyl ester | 128648-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: urobilinogen dimethyl ester
• 英文别名: methyl 3-[5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
• CAS: 128648-46-4
• 化学式: C₃₅H₄₈N₄O₆
• 分子量: 620.789
• InChiKey: KYCFOGRNQDEWHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  mesobiliverdin IXa dimethyl ester 在 sodium dithionite 、 碳酸氢钠 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 urobilinogen dimethyl ester
  参考文献：
  名称：

  Reactivity of pyrrole pigments, part XVII. Reduction of bile pigments by sodium dithionite

  摘要：

  Bilanediones can be easily obtained by sodium dithionite reduction of the corresponding alkyl-substituted bilindiones or biladiene-ac-diones. By reduction of vinyl-substituted dipyrrinones with sodium dithionite, the corresponding alkyl-substituted 4,5-dihydrodipyrrinones can be obtained.

  DOI：

  10.1007/bf00816105

文献信息

• Reactivity of pyrrole pigments. Part XII. Electrochemical reduction of dipyrrin-1(10)-ones and bilirubins
  作者：Josep Claret、Joan Anton Farrera、Josep M. Ribo

  DOI：10.1016/s0040-4020(01)81382-x

  日期：1990.1

  behaviour analogous as that of their partial models the dipyrrin-1(10)-ones. and vinyl substitution results in different reaction products on cathodic reduction, but the specific electroanalytical response depends on many factors and cannot easily be interpreted. The reductive polymers obtained from the bilirubins are suggested to be related to bilifuscin and mesobilifuscin (fecal pigments).

  二甲基甲酰胺中的Biladiene-二酮（胆红素）显示出类似于双吡啶-1（10 ）-ones部分模型的阴极电化学行为。和乙烯基取代导致在阴极还原不同的反应产物，但具体的电分析响应取决于许多因素，并且不能容易地解释。建议从胆红素获得的还原性聚合物与胆红素和中胆红素（粪便色素）有关。
• Reactivity of pyrrole pigments, part XVII. Reduction of bile pigments by sodium dithionite
  作者：J. -A. Farrera、M. C. Anglada、J. M. Rib�

  DOI：10.1007/bf00816105

  日期：1995.3

  Bilanediones can be easily obtained by sodium dithionite reduction of the corresponding alkyl-substituted bilindiones or biladiene-ac-diones. By reduction of vinyl-substituted dipyrrinones with sodium dithionite, the corresponding alkyl-substituted 4,5-dihydrodipyrrinones can be obtained.