Benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylcarbamoyl]piperazine-1-carboxylate | 202979-25-7

• 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 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylcarbamoyl]piperazine-1-carboxylate
• CAS: 202979-25-7
• 化学式: C₂₅H₃₈N₄O₅
• 分子量: 474.601
• InChiKey: JGWUGXDGYMMXSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  91.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylcarbamoyl]piperazine-1-carboxylate 在 palladium on activated charcoal 盐酸 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Dibasic Inhibitors of Human Mast Cell Tryptase. Part 3: Identification of a Series of Potent and Selective Inhibitors Containing the Benzamidine Functionality

  摘要：

  A survey of charged groups and linkers for a series of symmetrical and unsymmetrical dibasic inhibitors is described. leading to several classes of potent and selective inhibitors. In particular. the benzamidine functionality was identified as the most potent charged group investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00254-2
• 作为产物：
  描述：

  4-哌啶丙酸 在 sodium hydroxide 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 苯 为溶剂， 生成 Benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylcarbamoyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Dibasic Inhibitors of Human Mast Cell Tryptase. Part 3: Identification of a Series of Potent and Selective Inhibitors Containing the Benzamidine Functionality

  摘要：

  A survey of charged groups and linkers for a series of symmetrical and unsymmetrical dibasic inhibitors is described. leading to several classes of potent and selective inhibitors. In particular. the benzamidine functionality was identified as the most potent charged group investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00254-2

文献信息

• Dibasic Inhibitors of Human Mast Cell Tryptase. Part 3: Identification of a Series of Potent and Selective Inhibitors Containing the Benzamidine Functionality
  作者：Jeffrey M. Dener、Kenneth D. Rice、William S. Newcomb、Vivian R. Wang、Wendy B. Young、Anthony R. Gangloff、Elaine Y.-L. Kuo、Lynne Cregar、Daun Putnam、Martin Wong

  DOI：10.1016/s0960-894x(01)00254-2

  日期：2001.7

  A survey of charged groups and linkers for a series of symmetrical and unsymmetrical dibasic inhibitors is described. leading to several classes of potent and selective inhibitors. In particular. the benzamidine functionality was identified as the most potent charged group investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.