Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-[4-(2-morpholin-4-yl-2-oxo-ethoxycarbonyl)-phenyl] ester | 262299-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-[4-(2-morpholin-4-yl-2-oxo-ethoxycarbonyl)-phenyl] ester
• 英文别名: 1-O-tert-butyl 4-O-[4-(2-morpholin-4-yl-2-oxoethoxy)carbonylphenyl] piperidine-1,4-dicarboxylate
• CAS: 262299-32-1
• 化学式: C₂₄H₃₂N₂O₈
• 分子量: 476.527
• InChiKey: XJBNQHHXAQMLSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-[4-(2-morpholin-4-yl-2-oxo-ethoxycarbonyl)-phenyl] ester 在 盐酸 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 1-Carbamimidoyl-piperidine-4-carboxylic acid 4-(2-morpholin-4-yl-2-oxo-ethoxycarbonyl)-phenyl ester; hydrochloride
  参考文献：
  名称：

  Synthesis and structure-activity relationship study of the new set of trypsin-like proteinase inhibitors

  摘要：

  A new set of 25 trypsin-like proteinase inhibitors was prepared and the inhibiting activity on trypsin, thrombin, plasmin and urokinase was measured. The structure-activity relationship is discussed. High inhibiting activities were observed in 4-guanidinobenzoic acid esters only. The replacement of this moiety for N-formamidinyl-isonipecotic acid or an arginine moiety caused almost total loss of the activity. In the series of 4-guanidinobenzoic acid esters, any important influence of the ester-groups reactivity was observed. The trypsin-thrombin selectivity in the compounds with the guanidine-remote carboxylic function was also observed. (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00123-3
• 作为产物：
  描述：

  2-氯-1-吗琳乙-1-酮 在 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-[4-(2-morpholin-4-yl-2-oxo-ethoxycarbonyl)-phenyl] ester
  参考文献：
  名称：

  Synthesis and structure-activity relationship study of the new set of trypsin-like proteinase inhibitors

  摘要：

  A new set of 25 trypsin-like proteinase inhibitors was prepared and the inhibiting activity on trypsin, thrombin, plasmin and urokinase was measured. The structure-activity relationship is discussed. High inhibiting activities were observed in 4-guanidinobenzoic acid esters only. The replacement of this moiety for N-formamidinyl-isonipecotic acid or an arginine moiety caused almost total loss of the activity. In the series of 4-guanidinobenzoic acid esters, any important influence of the ester-groups reactivity was observed. The trypsin-thrombin selectivity in the compounds with the guanidine-remote carboxylic function was also observed. (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00123-3

文献信息

• Synthesis and structure-activity relationship study of the new set of trypsin-like proteinase inhibitors
  作者：Pavol Zlatoidsky、Tibor Maliar

  DOI：10.1016/s0223-5234(99)00123-3

  日期：1999.12

  A new set of 25 trypsin-like proteinase inhibitors was prepared and the inhibiting activity on trypsin, thrombin, plasmin and urokinase was measured. The structure-activity relationship is discussed. High inhibiting activities were observed in 4-guanidinobenzoic acid esters only. The replacement of this moiety for N-formamidinyl-isonipecotic acid or an arginine moiety caused almost total loss of the activity. In the series of 4-guanidinobenzoic acid esters, any important influence of the ester-groups reactivity was observed. The trypsin-thrombin selectivity in the compounds with the guanidine-remote carboxylic function was also observed. (C) 1999 Editions scientifiques et medicales Elsevier SAS.