5-(tert-Butoxycarbonylamino-methyl)-3-(2-tert-butoxycarbonyl-ethyl)-4-tert-butoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid | 192226-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-(tert-Butoxycarbonylamino-methyl)-3-(2-tert-butoxycarbonyl-ethyl)-4-tert-butoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid
• 英文别名: 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylic acid
• CAS: 192226-00-9
• 化学式: C₂₄H₃₈N₂O₈
• 分子量: 482.574
• InChiKey: AGKLTKVCVAXNRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-(tert-Butoxycarbonylamino-methyl)-3-(2-tert-butoxycarbonyl-ethyl)-4-tert-butoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 98.0h， 生成 2-aminomethyl-3-carboxymethyl-5-[(N-amidomethyl-6-fluoresceinyl)carbonyl]-1H-pyrrole-4-propanoic acid
  参考文献：
  名称：

  Synthesis of immunocomponents for the measurement of lead (Pb) by fluorescence polarization immunoassay

  摘要：

  Three novel haptens (5b, 9b, 11b) were synthesized from porphobilinogen (2) and conjugated to bovine serum albumin to afford immunogens (6, 10, 12). Five fluorescent tracers (14, 17, 19, 29, 32) were prepared from porphobilinogen (2), or haptens (9b, 11b, 20b) in >98% purity. The immunogens (6, 10, 12) were utilized for generation of polyclonal antibodies and the best tracer-antibody combination was selected to construct the calibration curve for the measurement of lead. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00060-x
• 作为产物：
  描述：

  3-[5-(tert-Butoxycarbonylamino-methyl)-4-tert-butoxycarbonylmethyl-1H-pyrrol-3-yl]-propionic acid tert-butyl ester 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醚 、 水 、 丙酮 为溶剂， 反应 0.92h， 生成 5-(tert-Butoxycarbonylamino-methyl)-3-(2-tert-butoxycarbonyl-ethyl)-4-tert-butoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  Synthesis of immunocomponents for the measurement of lead (Pb) by fluorescence polarization immunoassay

  摘要：

  Three novel haptens (5b, 9b, 11b) were synthesized from porphobilinogen (2) and conjugated to bovine serum albumin to afford immunogens (6, 10, 12). Five fluorescent tracers (14, 17, 19, 29, 32) were prepared from porphobilinogen (2), or haptens (9b, 11b, 20b) in >98% purity. The immunogens (6, 10, 12) were utilized for generation of polyclonal antibodies and the best tracer-antibody combination was selected to construct the calibration curve for the measurement of lead. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00060-x