[4-(5-aminomethyl-2-fluorophenyl)piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)methanone hydrochloride | 866613-73-2

• 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-(5-aminomethyl-2-fluorophenyl)piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)methanone hydrochloride
• 英文别名: Dtxcid2027381；[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone;hydrochloride
• CAS: 866613-73-2
• 化学式: C₂₁H₂₆BrFN₂O₂S*ClH
• 分子量: 505.879
• InChiKey: XRGUAUFOUNIQRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  {3-[1-(4-bromo-3-methyl-5-propoxy-thiophene-2-carbonyl)-piperidin-4-yl]-4-fluoro-benzyl}carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以86.4%的产率得到[4-(5-aminomethyl-2-fluorophenyl)piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)methanone hydrochloride
  参考文献：
  名称：

  [EN] [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE
  [FR] [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORURE TENANT LIEU D'INHIBITEUR DE LA MASTOCYTE TRYPTASE

  摘要：

  本发明涉及到式I的化合物，或者该化合物的前药、药学上可接受的盐或溶剂。此外，本发明涉及一种药物组合物，包括式I的化合物的药学有效量和药学上可接受的载体。此外，本发明涉及将式I的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。此外，本发明还涉及将式I的化合物用于治疗患有或患有需要改善色氨酸蛋白酶抑制剂的生理状况的患者的用途，包括向患者施用权利要求1中的化合物的治疗有效量。本发明还涉及制备式I的化合物。

  公开号：

  WO2005097780A1

文献信息

• [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase
  申请人：Gao Zhongli

  公开号：US20070142435A1

  公开（公告）日：2007-06-21

  The present invention extends to the compound of formula I: or a prodrug, pharmaceutically acceptable salt, or solvate of said compound. Furthermore, the present invention is directed to a pharmaceutical composition comprising a pharmaceutically effective amount of the compound of formula I, and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed to the use of a compound of formula I as an inhibitor of tryptase, comprising introducing the compound into a composition comprising tryptase. In addition, the present invention is directed to the use of a compound of formula I for treating a patient suffering from, or subject to, a physiological condition in need of amelioration of an inhibitor of tryptase comprising administering to the patient a therapeutically effective amount of the compound of claim 1 The present invention is directed also to the preparation of a compound of formula I.

  本发明涉及化合物I的化合物：或者其前药、药学上可接受的盐或溶剂。此外，本发明涉及一种药物组合物，包括药学有效量的化合物I和药学上可接受的载体。此外，本发明涉及使用化合物I作为组成三胺酸酶抑制剂的用途，包括将化合物引入包含三胺酸酶的组成物中。此外，本发明还涉及使用化合物I治疗患有或受到需要改善三胺酸酶抑制剂的生理状况的患者，包括向患者施用化合物的治疗有效量。本发明还涉及制备化合物I的方法。
• [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE
  申请人：Aventis Pharmaceuticals, Inc.

  公开号：EP1737848A1

  公开（公告）日：2007-01-03
• IMPROVEMENTS IN THE PREPARATION OF INTERMEDIATES LEADING TO [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2YL)-METHANONE HYDROCHLORIDE
  申请人：Sanofi-Aventis

  公开号：EP2001839A1

  公开（公告）日：2008-12-17
• [EN] IMPROVEMENTS IN THE PREPARATION OF INTERMEDIATES LEADING TO [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2YL)-METHANONE HYDROCHLORIDE<br/>[FR] AMELIORATIONS DE LA PREPARATION D'INTERMEDIAIRES CONDUISANT A L'HYDROCHLORURE DE [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2YL)-METHANONE
  申请人：SANOFI AVENTIS

  公开号：WO2007118010A1

  公开（公告）日：2007-10-18

  [EN] The present invention is directed (i) to a method for the preparation of a compound of formula (8) by condensing the compound of formula (7) with acetone and (ii) to a method for the preparation of a compound of formula (13) by alkylating the compound of formula (8) using methyl bromoacetate. The compounds of formula (7,8) and (13) useful intermediates for the preparation of the compound of formula (I).
  [FR] La présente invention concerne : (i) un procédé de préparation d'un composé de formule (8) par condensation d'un composé de formule (7) avec de l'acétone; et (ii) un procédé de préparation d'un composé de formule (13) par alkylation du composé de formule (8) à l'aide de bromoacétate de méthyle. Les composés répondant aux formules (7), (8) et (13) sont des intermédiaires utiles lors de la préparation du composé de formule (I).
• [EN] [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE<br/>[FR] [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORURE TENANT LIEU D'INHIBITEUR DE LA MASTOCYTE TRYPTASE
  申请人：AVENTIS PHARMA INC

  公开号：WO2005097780A1

  公开（公告）日：2005-10-20

  The present invention extends to the compound of formula I, or a prodrug, pharmaceutically acceptable salt, or solvate of said compound. Furthermore, the present invention is directed to a pharmaceutical composition comprising a pharmaceutically effective amount of the compound of formula I, and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed to the use of a compound of formula I as an inhibitor of tryptase, comprising introducing the compound into a composition comprising tryptase. In addition, the present invention is directed to the use of a compound of formula I for treating a patient suffering from, or subject to, a physiological condition in need of amelioration of an inhibitor of tryptase comprising administering to the patient a therapeutically effective amount of the compound of Claim 1. The present invention is directed also to the preparation of a compound of formula I.

  本发明涉及到式I的化合物，或者该化合物的前药、药学上可接受的盐或溶剂。此外，本发明涉及一种药物组合物，包括式I的化合物的药学有效量和药学上可接受的载体。此外，本发明涉及将式I的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。此外，本发明还涉及将式I的化合物用于治疗患有或患有需要改善色氨酸蛋白酶抑制剂的生理状况的患者的用途，包括向患者施用权利要求1中的化合物的治疗有效量。本发明还涉及制备式I的化合物。