(S)-2-{4-[2-(tert-butoxycarbonylamino)propanoyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-{4-[2-(tert-butoxycarbonylamino)propanoyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
• 英文别名: Boc-L-Ala-Pip；Boc-L-Ala-pipemidic acid；8-ethyl-2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
• 化学式: C₂₂H₃₀N₆O₆
• 分子量: 474.517
• InChiKey: PLMHKCSINBQVQK-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (S)-2-{4-[2-(tert-butoxycarbonylamino)propanoyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid 在 盐酸 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 8-ethyl-5-oxo-2-[4-((S)-2-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}propanoyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Biotin Conjugates with Quinolone Antibiotics via Amino Acids

  摘要：

  Benzotriazole-activated biotin was utilized as a versatile building block for the efficient and convenient synthesis of novel biotin conjugates with quinolone antibiotics via amino acid linkers under microwave irradiation. The products are obtained in yields of 70-91% with retention of chirality.

  DOI：

  10.1055/s-0033-1340978
• 作为产物：
  描述：

  (S)-tert-butyl (1-(1H-benzo[d][1,2,3]triazol-1-yl)-1-oxopropan-2-yl)carbamate 、 吡哌酸 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以81%的产率得到(S)-2-{4-[2-(tert-butoxycarbonylamino)propanoyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Biotin Conjugates with Quinolone Antibiotics via Amino Acids

  摘要：

  Benzotriazole-activated biotin was utilized as a versatile building block for the efficient and convenient synthesis of novel biotin conjugates with quinolone antibiotics via amino acid linkers under microwave irradiation. The products are obtained in yields of 70-91% with retention of chirality.

  DOI：

  10.1055/s-0033-1340978

文献信息

• Microwave-Assisted Synthesis of Biotin Conjugates with Quinolone Antibiotics via Amino Acids
  作者：Alan Katritzky、Siva Panda、Roman Naumov、Abdullah Asiri

  DOI：10.1055/s-0033-1340978

  日期：——

  Benzotriazole-activated biotin was utilized as a versatile building block for the efficient and convenient synthesis of novel biotin conjugates with quinolone antibiotics via amino acid linkers under microwave irradiation. The products are obtained in yields of 70-91% with retention of chirality.