methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate fumarate

• 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: methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate fumarate
• 英文别名: methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate fumaric acid；(E)-but-2-enedioic acid;methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
• 化学式: (x)C₄H₄O₄*C₂₆H₄₁ClN₄O₅
• 分子量: 641.2
• InChiKey: ZRHKACYXRQGEFU-GEZBXXEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  176
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate 在 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate fumarate
  参考文献：
  名称：

  [EN] SALTS OF METHYL 2-((R))-(3-CHLOROPHENYL)((R)-1-((S)-2-(METHYLAMINO)-3((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPYLCARBAMOYL)PIPERIDIN-3-YL)METHOXY)ETHYLCARBAMATE
  [FR] SELS DE 2-((R))-(3-CHLOROPHÉNYL)((R)-1-((S)-2-(MÉTHYLAMINO)-3((R)-TÉTRAHYDRO-2H-PYRAN-3-YL)PROPYLCARBAMOYL)PIPÉRIDIN-3-YL)MÉTHOXY)ÉTHYLCARBAMATE

  摘要：

  揭示了甲基2-((R)-(3-氯苯基)((R)-l-((S)-2-(甲氨基)-3-((R)-四氢-2H-吡喃-3-基)丙基氨甲酰)哌啶-3-基)甲氧基)乙基氨甲酸盐及含有其的药物组合物。还揭示了其制备方法和使用方法。

  公开号：

  WO2009158377A1

文献信息

• [EN] CRYSTALLINE SALTS OF METHYL 2- ( (R) - ( 3-CHLORO PHENYL) ( (R) -L- ( (S) -2- (METHYLAMINO) -3- ( (R) -TETRAHYDRO-2H-PYRAN-3-YL) PROPYLCARBAMOYL )<br/>[FR] SELS CRISTALLINS DE MÉTHYL-2-((R)-(3-CHLOROPHÉNYL)((R)-L-((S)-2-(MÉTHYLAMINO)-3-((R)-TÉTRAHYDRO-2H-PYRAN-3-YL)PROPYLCARBAMOYLE)
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2011017533A1

  公开（公告）日：2011-02-10

  Mucic acid salts of a compound represented by the following structural formula:(I) are disclosed. In particular, single crystalline mucic acid salts of the compound represented by structural formula (I) are characterized by a variety of properties and physical measurements. Methods of producing the mucic acid salts, using the salts to antagonize one or more aspartic proteases, and methods of treating a number of aspartic protease mediated disorders using the salts are described herein.

  本文披露了由以下结构式表示的一种化合物的葡萄糖酸盐（I）。具体来说，由结构式（I）表示的化合物的单晶葡萄糖酸盐具有多种性质和物理测量特征。本文描述了生产葡萄糖酸盐的方法，使用这些盐对抗一个或多个天冬氨酸蛋白酶，以及使用这些盐治疗多种由天冬氨酸蛋白酶介导的疾病的方法。
• Salts Of Methyl 2-((R))-(3-Chlorophenyl)((R)-1-((S)-2-(Methylamino)-3((R)-tetrahydro-2H-Pyran-3-YL)Propylcarbamoyl)Piperidin-3-YL)Methoxy)Ethylcarbamate
  申请人：Deschamps Nicole Marie

  公开号：US20110112145A1

  公开（公告）日：2011-05-12

  Disclosed are salts of methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate and pharmaceutical compositions containing the same. Also disclosed are processes for the preparation thereof and methods for use thereof.

  本发明公开了甲基2-((R)-(3-氯苯基)((R)-1-((S)-2-(甲基氨基)-3-((R)-四氢-2H-吡喃-3-基)丙基氨基)piperidin-3-基)甲氧基)乙氨酸盐及含有该盐的药物组合物。本发明还公开了其制备方法和使用方法。
• Salts Of Methyl 2-((R)-(3-Chlorophenyl)((R)-1-((S)-2-(Methylamino)-3-((R)-Tetrahydro-2H-Pyran-3-Yl)Propylcarbamoyl)Piperidin-3-Yl)Methoxy)Ethylcarbamate
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：US20130197034A1

  公开（公告）日：2013-08-01

  Mucic acid salts of a compound represented by the following structural formula: are disclosed. In particular, single crystalline mucic acid salts of the compound represented by structural formula (I) are characterized by a variety of properties and physical measurements. Methods of producing the mucic acid salts, using the salts to antagonize one or more aspartic proteases, and methods of treating a number of aspartic protease mediated disorders using the salts are described herein.

  本文披露了一种由以下结构式表示的化合物的黏酸盐。特别地，由结构式(I)所表示的化合物的单晶黏酸盐具有多种特性和物理测量值。本文还描述了制备黏酸盐的方法，使用这些盐拮抗一种或多种天冬氨酸蛋白酶的方法，以及使用这些盐治疗多种天冬氨酸蛋白酶介导的疾病的方法。
• SALTS OF METHYL 2-((R)-(3-CHLOROPHENYL)((R)-1-((S)-2-(METHYLAMINO)-3-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPYLCARBAMOYL)PIPERIDIN-3-YL)METHOXY)ETHYLCARBAMATE
  申请人：Claremon David A.

  公开号：US20110098321A1

  公开（公告）日：2011-04-28

  Mucic acid salts of a compound represented by the following structural formula: are disclosed. In particular, single crystalline mucic acid salts of the compound represented by structural formula (I) are characterized by a variety of properties and physical measurements. Methods of producing the mucic acid salts, using the salts to antagonize one or more aspartic proteases, and methods of treating a number of aspartic protease mediated disorders using the salts are described herein.
• US8372978B2
  申请人：——

  公开号：US8372978B2

  公开（公告）日：2013-02-12