piperazine-1-carboxylic acid phenethyl ester | 438046-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: piperazine-1-carboxylic acid phenethyl ester
• 英文别名: 2-phenylethyl piperazine-1-carboxylate
• CAS: 438046-91-4
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: LJXPTWOZQAWFAE-UHFFFAOYSA-N

物化性质

• 沸点：
  371.8±30.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  piperazine-1-carboxylic acid phenethyl ester 在 palladium on activated charcoal 盐酸 、 4-二甲氨基吡啶 、 氢气 、 碳酸氢钠 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 4-[(2S,3R)-2-Carboxy-3-(3-guanidino-propyl)-4-oxo-azetidine-1-carbonyl]-piperazine-1-carboxylic acid phenethyl ester
  参考文献：
  名称：

  Synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors

  摘要：

  A series of N1-activated C4-carboxy azetidinones was prepared and tested as inhibitors of human tryptase. The key stereochemical and functional features required for potency, serine protease specificity and aqueous stability were determined. From these studies compound 2, BMS-262084, was identified as a potent and selective tryptase inhibitor which, when dosed intratracheally in ovalbumin-sensitized guinea pigs, reduced allergen-induced bronchoconstriction and inflammatory cell infiltration into the lung. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00688-1
• 作为产物：
  描述：

  2-phenylethyl chloroformate 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 piperazine-1-carboxylic acid phenethyl ester
  参考文献：
  名称：

  Synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors

  摘要：

  A series of N1-activated C4-carboxy azetidinones was prepared and tested as inhibitors of human tryptase. The key stereochemical and functional features required for potency, serine protease specificity and aqueous stability were determined. From these studies compound 2, BMS-262084, was identified as a potent and selective tryptase inhibitor which, when dosed intratracheally in ovalbumin-sensitized guinea pigs, reduced allergen-induced bronchoconstriction and inflammatory cell infiltration into the lung. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00688-1

文献信息

• Novel piperazine derivatives
  申请人：——

  公开号：US20020143020A1

  公开（公告）日：2002-10-03

  The present invention is a chemical compound of formula (I) 1 or a pharmaceutically acceptable salts, solvates and esters thereof, wherein R 1 to R 4 , A 1 , A 2 m and n are as described in the specification.

  本发明是一种具有公式(I)的化学化合物 1 或其药物可接受的盐、溶剂化物和酯，其中R 1 至R 4 ，A 1 ，A 2 ，m和n如说明书中所述。
• Beta lactam compounds and their use as inhibitors of tryptase
  申请人：Bristol-Myers Squibb Co.

  公开号：US06335324B1

  公开（公告）日：2002-01-01

  Compounds of the formulas: are disclosed. These compounds inhibit tryptase as well as other enzyme systems or are selective tryptase inhibitors and are useful as antiinflammatory agents particularly in the treatment of chronic asthma.

  这些化合物的结构式已被披露。这些化合物抑制色胺酸蛋白酶以及其他酶系统，或者是选择性色胺酸蛋白酶抑制剂，并且在特别是治疗慢性哮喘方面作为抗炎药物是有用的。
• PIPERAZINE DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1343775B1

  公开（公告）日：2008-06-04
• US7022707B2
  申请人：——

  公开号：US7022707B2

  公开（公告）日：2006-04-04
• [EN] PIPERAZINE DERIVATIVES<br/>[FR] DERIVES DE PIPERAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002048124A2

  公开（公告）日：2002-06-20

  The present invention refers to chemical compounds of formula (I) as well as pharmaceutically usable salts, solvates and esters thereof, wherein R?1 to 44, A1, A2¿ m and n have the significance given in claim 1. They can be used in the form of pharmaceutically preparations for the treatment or prevention of disorders of the central nervous system, cardiovascular disorders, gastrointestinal disorders, diabetes, obesity and sleep apnoea.