benzyl N-[1-bis(3,4,5-trimethylphenoxy)phosphoryl-3-methylbutyl]carbamate | 1203577-19-8

• 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: benzyl N-[1-bis(3,4,5-trimethylphenoxy)phosphoryl-3-methylbutyl]carbamate
• CAS: 1203577-19-8
• 化学式: C₃₁H₄₀NO₅P
• 分子量: 537.636
• InChiKey: VRJWDDKJOQVTNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.49
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  73.86
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  氨基甲酸苄酯 、 Tris(3,4,5-trimethylphenyl) phosphite 、 异戊醛 在 溶剂黄146 作用下， 生成 benzyl N-[1-bis(3,4,5-trimethylphenoxy)phosphoryl-3-methylbutyl]carbamate
  参考文献：
  名称：

  Simple phosphonic inhibitors of human neutrophil elastase

  摘要：

  Herein, we describe the synthesis and resulting activity of a complex series of alpha-aminophosphonate diaryl esters as irreversible human neutrophil elastase inhibitors and their selectivity preference for human neutrophil elastase over several other serine proteases such as porcine pancreatic elastase, trypsin, and chymotrypsin. We synthesized and examined the inhibitory potency of several new simple Cbz-protected alpha-aminoalkylphosphonate diaryl esters that yielded several new HNE inhibitors, where one of the obtained compounds Cbz-Val(P)(OC6H4-4-COOMe)(2) displayed an apparent second-order inhibition value at 33,015 M (1) s (1). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.083

文献信息

• Simple phosphonic inhibitors of human neutrophil elastase
  作者：Marcin Sieńczyk、Łukasz Winiarski、Paulina Kasperkiewicz、Mateusz Psurski、Joanna Wietrzyk、Józef Oleksyszyn

  DOI：10.1016/j.bmcl.2011.01.083

  日期：2011.3

  Herein, we describe the synthesis and resulting activity of a complex series of alpha-aminophosphonate diaryl esters as irreversible human neutrophil elastase inhibitors and their selectivity preference for human neutrophil elastase over several other serine proteases such as porcine pancreatic elastase, trypsin, and chymotrypsin. We synthesized and examined the inhibitory potency of several new simple Cbz-protected alpha-aminoalkylphosphonate diaryl esters that yielded several new HNE inhibitors, where one of the obtained compounds Cbz-Val(P)(OC6H4-4-COOMe)(2) displayed an apparent second-order inhibition value at 33,015 M (1) s (1). (C) 2011 Elsevier Ltd. All rights reserved.