4-(2-Benzyloxycarbonylamino-2-dodecylcarbamoyl-ethyl)-imidazole-1-carboxylic acid benzyl ester | 138846-63-6

• 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: 4-(2-Benzyloxycarbonylamino-2-dodecylcarbamoyl-ethyl)-imidazole-1-carboxylic acid benzyl ester
• CAS: 138846-63-6；138846-64-7
• 化学式: C₃₄H₄₆N₄O₅
• 分子量: 590.763
• InChiKey: GRNPSFFTNGRPTA-UHFFFAOYSA-N

物化性质

• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  43.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  111.55
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(2-Benzyloxycarbonylamino-2-dodecylcarbamoyl-ethyl)-imidazole-1-carboxylic acid benzyl ester 在 钯 叠氮磷酸二苯酯 、 氢气 作用下， 生成 6-[(2-Amino-ethylamino)-methyl]-pyridine-2-carboxylic acid [1-dodecylcarbamoyl-2-(1H-imidazol-4-yl)-ethyl]-amide
  参考文献：
  名称：

  Enantiomeric bleomycin model compounds bearing long alkyl-chain

  摘要：

  Enantiomeric bleomycin model compounds bearing long alkyl-chain were synthesized and the physicochemical properties of their metal complexes were studied. The Fe complexes of these compounds exhibited a strong DNA cleaving activity in a chiral discriminative manner.

  DOI：

  10.1016/0040-4039(91)80429-a
• 作为产物：
  描述：

  D,L-histidine 在 叠氮磷酸二苯酯 作用下， 生成 4-(2-Benzyloxycarbonylamino-2-dodecylcarbamoyl-ethyl)-imidazole-1-carboxylic acid benzyl ester
  参考文献：
  名称：

  Enantiomeric bleomycin model compounds bearing long alkyl-chain

  摘要：

  Enantiomeric bleomycin model compounds bearing long alkyl-chain were synthesized and the physicochemical properties of their metal complexes were studied. The Fe complexes of these compounds exhibited a strong DNA cleaving activity in a chiral discriminative manner.

  DOI：

  10.1016/0040-4039(91)80429-a