[4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone methanesulfonate | 725228-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: [4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone methanesulfonate
• 英文别名: 4-[3-(aminomethyl)phenyl]-1-[5-(2-fluorophenylethynyl)-2-furanoyl]piperidine methanesulfonic acid salt；[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]furan-2-yl]methanone;methanesulfonic acid
• CAS: 725228-55-7
• 化学式: CH₄O₃S*C₂₅H₂₃FN₂O₂
• 分子量: 498.575
• InChiKey: HAFNRIJQRLLXSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-[3-(tert-butoxycarbonylaminomethyl)phenyl]-1-[5-(2-fluorophenylethynyl)-2-furanoyl]piperidine 在 甲烷磺酸 作用下， 以 异丙醇 为溶剂， 反应 3.0h， 以89.4%的产率得到[4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone methanesulfonate
  参考文献：
  名称：

  [EN] [4-(3-AMINOMETHYLPHENYL) PIPERIDIN-1-YL]- [5-(2-FLUOROPHENYLETHYNYL)FURAN-2-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE
  [FR] [4-(3-AMINOMETHYLPHENYL)PIPERIDIN-1-YL]-[5-(2-FLUOROPHENYLETHYNYL)FURAN-2-YL]-METHANONE EN TANT QU'INHIBITEUR DE LA TRYPTASE MASTOCYTAIRE

  摘要：

  本发明涉及到式(I)的化合物：(I)或者该化合物的前药、药学上可接受的盐或溶剂；一种包含式(I)化合物的药物组合物，以及药学上有效量的该化合物和药学上可接受的载体；将式(I)化合物用作色氨酸蛋白酶抑制剂的用途，包括将该化合物引入含有色氨酸蛋白酶的组合物中。

  公开号：

  WO2004060884A1

文献信息

• Process for the preparation of tryptase inhibitors
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1571150A1

  公开（公告）日：2005-09-07

  This invention is directed to processes for the preparation of compounds of the formula I and their salts, which are useful as tryptase inhibitors, to intermediates useful in the preparation of such compounds, to processes for the preparation of such intermediates, and to the use of such intermediates for the preparation of such compounds.

  该发明涉及制备式I化合物及其盐的过程，这些化合物可用作曲激酶抑制剂，还涉及制备这些化合物的有用中间体、制备这些中间体的过程，以及利用这些中间体制备这些化合物的用途。
• 4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone as an inhibitor of mast cell tryptase
  申请人：AVENTIS PHARMACEUTICALS INC.

  公开号：US20040192734A1

  公开（公告）日：2004-09-30

  The present invention extends to the compound of formula (I): 1 or a prodrug, pharmaceutically acceptable salt, or solvate of said compound; to a pharmaceutical composition comprising a pharmaceutically effective amount of the compound of formula (I), and a pharmaceutically acceptable carrier; the use of a compound of formula (I) as an inhibitor of tryptase comprising introducing the compound into a composition comprising tryptase.

  本发明涉及公式（I）的化合物：1或其前药、药学上可接受的盐或溶剂，以及包含公式（I）化合物的药物组合物，其中该组合物含有药学有效量的公式（I）化合物和药学上可接受的载体；本发明还涉及将公式（I）化合物引入含有tryptase的组合物中作为tryptase抑制剂的用途。
• PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：US20130225825A1

  公开（公告）日：2013-08-29

  This invention is directed to processes for the preparation of a compound of the formula I or salt thereof, that is useful as a tryptase inhibitor, to intermediates useful in the preparation of such a compound, to processes for the preparation of such intermediates, and to the use of such intermediates for the preparation of such a compound.

  本发明涉及用于制备公式I化合物或其盐的过程，该化合物对于作为组胺酶抑制剂是有用的，以及用于制备这种化合物的中间体，制备这种中间体的过程，以及使用这种中间体制备这种化合物的方法。
• [EN] PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS<br/>[FR] PROCESSUS POUR LA PREPARATION D'INHIBITEURS DE TRYPTASE
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2005095385A1

  公开（公告）日：2005-10-13

  This invention is directed to processes for the preparation of compounds of the formula (I) and their salts, formula (I) which are useful as tryptase inhibitors, to intermediates useful in the preparation of such compounds, to processes for the preparation of such intermediates, and to the use of such intermediates for the preparation of such compounds.