[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester | 67460-24-6

• 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: [2-(4-Sulfamoyl-benzoylamino)-acetylamino]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester
• CAS: 67460-24-6
• 化学式: C₁₅H₁₆N₄O₈S
• 分子量: 412.38
• InChiKey: NBFIPCBNRAEJIL-UHFFFAOYSA-N

物化性质

• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.21
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  182.04
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [2-(4-Sulfamoyl-benzoylamino)-acetylamino]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester 在 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 3-Methyl-2-(2-{2-[2-(4-sulfamoyl-benzoylamino)-acetylamino]-acetylamino}-acetylamino)-butyric acid
  参考文献：
  名称：

  Benzenesulfonamide-peptide conjugates as probes for secondary binding sites near the active site of carbonic anhydrase

  摘要：

  Libraries of N-(4-sulfamoylbenzoyl)oligoglycines terminated with different L-amino acids were screened to identify tight binding inhibitors of human carbonic anhydrase II. Inhibitors terminated with hydrophobic amino acids showed significant enhancements in binding compared to the corresponding glycine derivatives. No enhancements were observed due to polar interactions.

  DOI：

  10.1016/0960-894x(96)00069-8
• 作为产物：
  描述：

  N-hydroxysuccinimidyl 4-sulfamoylbenzenecarboxylate 在 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 [2-(4-Sulfamoyl-benzoylamino)-acetylamino]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester
  参考文献：
  名称：

  Benzenesulfonamide-peptide conjugates as probes for secondary binding sites near the active site of carbonic anhydrase

  摘要：

  Libraries of N-(4-sulfamoylbenzoyl)oligoglycines terminated with different L-amino acids were screened to identify tight binding inhibitors of human carbonic anhydrase II. Inhibitors terminated with hydrophobic amino acids showed significant enhancements in binding compared to the corresponding glycine derivatives. No enhancements were observed due to polar interactions.

  DOI：

  10.1016/0960-894x(96)00069-8