N-[[1-[[[4-[(dimethylamino)methyl]phenyl]carbonyl]amino]cyclohexyl]carbonyl]-L-methionine methyl ester | 944282-41-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[[1-[[[4-[(dimethylamino)methyl]phenyl]carbonyl]amino]cyclohexyl]carbonyl]-L-methionine methyl ester
• 英文别名: N-[[[1-[[[4-(dimethylamino)methyl]phenyl]carbonyl]amino]cyclohexyl]carbonyl]-L-methionine methyl ester；methyl (2S)-2-[[1-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoate
• CAS: 944282-41-1
• 化学式: C₂₃H₃₅N₃O₄S
• 分子量: 449.615
• InChiKey: KWTMEUFJBPNQTM-IBGZPJMESA-N

物化性质

• 沸点：
  648.7±55.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-羟甲基苯甲酸 在 sodium hydroxide 、 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 N-[[1-[[[4-[(dimethylamino)methyl]phenyl]carbonyl]amino]cyclohexyl]carbonyl]-L-methionine methyl ester
  参考文献：
  名称：

  EP1972615

  摘要：

  公开号：

文献信息

• Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same
  申请人：Kobayashi Nobuo

  公开号：US20090137799A1

  公开（公告）日：2009-05-28

  Cycloalkylcarbonylamino acid ester derivatives, which are raw material intermediates for a novel cycloalkane carboxamide derivative having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid ester derivative represented by formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R 1 and R 2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups, etc., R 8 represents an alkyl group having 1 to 6 carbon atoms, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  环烷基羰基氨基酸酯衍生物是一种新型环烷烃羧酰胺衍生物的原料中间体，具有选择性抑制卡特普辛K的作用，提供其生产工艺。 表示为式（I）的环烷基羰基氨基酸酯衍生物，或其药学上可接受的盐： （其中，R1和R2代表烷基、烯基、炔基、芳香烃基、杂环基等，R8代表具有1至6个碳原子的烷基，环A代表具有5、6或7个碳原子的环烷基亚基）。
• Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same
  申请人：Kobayashi Nobuo

  公开号：US20090111983A1

  公开（公告）日：2009-04-30

  Cycloalkylcarbonylamino acid derivatives, which are raw material intermediates of a novel cycloalkane carboxamide derivative that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R 1 and R 2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups or the like, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  环烷基羰基氨基酸衍生物是一种新型环烷基羧酰胺衍生物的原料中间体，该衍生物选择性抑制卡特普辛K，并提供其生产工艺。 以下是由下述通用式（I）表示的环烷基羰基氨基酸衍生物，或其药用可接受盐： （其中，R1和R2代表烷基、烯基、炔基、芳香烃基、杂环基或类似基团，环A代表具有5、6或7个碳原子的环烷基亚基）。
• Cycloalkylcarbonylamino acid derivative and process for producing the same
  申请人：Kobayashi Nobuo

  公开号：US08481725B2

  公开（公告）日：2013-07-09

  Cycloalkylcarbonylamino acid derivatives, which are raw material intermediates of a novel cycloalkane carboxamide derivative that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R1 and R2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups or the like, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  本发明提供了环烷基羰基氨基酸衍生物，它们是一种新型环烷基羧酰胺衍生物的原料中间体，该衍生物能够选择性地抑制卡他普星K，以及其生产工艺。所述环烷基羰基氨基酸衍生物由以下通式（I）表示，或其药学上可接受的盐：（其中，R1和R2表示烷基、烯基、炔基、芳香族烃基、杂环基或类似物，环A表示具有5、6或7个碳原子的环烷基亚基）。
• Cycloalkane carboxamide derivatives and production process of same
  申请人：Kobayashi Nobuo

  公开号：US08957205B2

  公开（公告）日：2015-02-17

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided, wherein the cycloalkane carboxamide derivatives are represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein R1 and R2 represent (substituted) alkyl groups, (substituted) alkenyl groups, (substituted) alkynyl groups, (substituted) aromatic hydrocarbon groups or (substituted) heterocyclic groups, ring A represents an alkylidene group having 5 to 7 carbon atoms, and ring B represents a formyl group or a hydroxymethyl group).

  本发明提供了一种选择性抑制猫hepsin K的作用的新型环烷基羧酰胺衍生物及其生产方法，其中环烷基羧酰胺衍生物由以下通式（I）表示，或其药学上可接受的盐：（其中R1和R2代表（取代）烷基，（取代）烯基，（取代）炔基，（取代）芳香族碳氢基或（取代）杂环基，环A代表具有5至7个碳原子的烷基亚甲基基团，环B代表甲酰基或羟甲基基团）。
• Cycloalkylcarbonylamino acid ester derivative and process for producing the same
  申请人：Kobayashi Nobuo

  公开号：US08829209B2

  公开（公告）日：2014-09-09

  Cycloalkylcarbonylamino acid ester derivatives, which are raw material intermediates for a novel cycloalkane carboxamide derivative having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid ester derivative represented by formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R1 and R2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups, etc., R8 represents an alkyl group having 1 to 6 carbon atoms, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  提供一种环烷基羰基氨基酸酯衍生物，它们是一种新颖的环烷基羧酰胺衍生物的原料中间体，具有选择性抑制猫hepsin K的作用，以及其生产过程。其中，该环烷基羰基氨基酸酯衍生物由式(I)表示，或其药学上可接受的盐：（其中，R1和R2代表烷基、烯基、炔基、芳香族碳氢基、杂环基等；R8代表具有1~6个碳原子的烷基；环A代表具有5、6或7个碳原子的环烷基亚基）。