tert-butyl 2-(2-(benzyloxycarbonylamino)-3-phenylpropanoyl)hydrazine-carboxylate | 97297-39-7

• 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: tert-butyl 2-(2-(benzyloxycarbonylamino)-3-phenylpropanoyl)hydrazine-carboxylate
• 英文别名: benzyl N-[1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
• CAS: 97297-39-7
• 化学式: C₂₂H₂₇N₃O₅
• 分子量: 413.473
• InChiKey: KLHFVUFXTFWUOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(2-(benzyloxycarbonylamino)-3-phenylpropanoyl)hydrazine-carboxylate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以82%的产率得到DL-Phe-NHNH-Boc
  参考文献：
  名称：

  Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold

  摘要：

  A series of compounds based on the N-amino-4-imidazolidinone scaffold was synthesized and screened against human neutrophil elastase (HNE). These studies lead to the identification of a selective, low micromolar reversible competitive inhibitor of HNE. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.028
• 作为产物：
  描述：

  肼基甲酸叔丁酯 、 (S)-(S)-2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoic (isobutyl carbonic) anhydride 以 四氢呋喃 为溶剂， 以97.25 g的产率得到tert-butyl 2-(2-(benzyloxycarbonylamino)-3-phenylpropanoyl)hydrazine-carboxylate
  参考文献：
  名称：

  Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold

  摘要：

  A series of compounds based on the N-amino-4-imidazolidinone scaffold was synthesized and screened against human neutrophil elastase (HNE). These studies lead to the identification of a selective, low micromolar reversible competitive inhibitor of HNE. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.028

文献信息

• Modified Amino Acids
  申请人：Jordis Ulrich

  公开号：US20090105091A1

  公开（公告）日：2009-04-23

  The present invention provides a compound of the general formula (I), wherein X is the connection between the CO-hydrazine and the NR 1 -oxalic acid or ester group, and uses and synthesis methods. These compounds represent amino acid derivatives, wherein the amine group is turned into an acidic group by the oxalic acid group and the carboxylic acid is turned into an amine functionality by the hydrazine group; as well as peptidomimetics comprising the compound and methods for their synthesis.
• Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold
  作者：Guijia He、Dengfeng Dou、Liuqing Wei、Kevin R. Alliston、William C. Groutas

  DOI：10.1016/j.ejmech.2010.06.028

  日期：2010.9

  A series of compounds based on the N-amino-4-imidazolidinone scaffold was synthesized and screened against human neutrophil elastase (HNE). These studies lead to the identification of a selective, low micromolar reversible competitive inhibitor of HNE. (C) 2010 Elsevier Masson SAS. All rights reserved.