2-(1H-pyrrol-2-yl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one | 944281-77-0

• 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: 2-(1H-pyrrol-2-yl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
• CAS: 944281-77-0
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: GFEVUFCADAVDQT-UHFFFAOYSA-N

物化性质

• 沸点：
  383.0±34.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  L-蛋氨酸 、 2-(1H-pyrrol-2-yl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one 在 N-甲基吗啉 、 potassium hydrogensulfate 作用下， 以 水 为溶剂， 以72%的产率得到N-[[[1-[(1H-pyrrol-2-yl)carbonyl]amino]cyclohexyl]carbonyl]-L-methionine
  参考文献：
  名称：

  Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same

  摘要：

  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）。

  公开号：

  US20090137799A1

文献信息

• 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）。
• Oxazolone Derivatives
  申请人：Koji Tsuneo

  公开号：US20090131661A1

  公开（公告）日：2009-05-21

  Novel raw material compounds are provided that are useful for producing novel cycloalkane carboxamide derivatives having cathepsin K inhibitory action. An oxazolone derivative represented by formula (I): [wherein, R 1 represents a substituted or unsubstituted alkyl group, substituted or unsubstituted alkenyl group, substituted or unsubstituted alkynyl group, substituted phenyl group, substituted or unsubstituted naphthyl group or substituted or unsubstituted heterocyclic group, and ring A represents a saturated cyclic alkylidene group having 6 to 7 carbon atoms].

  提供了用于制备具有猫hepsin K抑制作用的新型环烷基羧酰胺衍生物的小说原材料化合物。公式（I）表示的噁唑酮衍生物：[其中，R1表示取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代苯基，取代或未取代的萘基或取代或未取代的杂环基，环A表示具有6至7个碳原子的饱和环烷基亚基]。
• Cycloalkane Carboxamide Derivatives and Production Process of Same
  申请人：Kobayashi Nobuo

  公开号：US20090156805A1

  公开（公告）日：2009-06-18

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkane carboxamide derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein R 1 and R 2 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).

  本发明提供了一种具有选择性抑制蛋白酶K的作用的新型环烷基羧酰胺衍生物及其生产工艺。其中，所述环烷基羧酰胺衍生物由下述通式（I）表示，或其药学上可接受的盐所表示（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表示具有5至7个碳原子的烷基亚基，环B表示甲酰基或羟甲基）。
• CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1972636A1

  公开（公告）日：2008-09-24

  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，它是一种新型环烷基羧酰胺衍生物的原料中间体，可选择性地抑制酪蛋白酶 K，并提供了其生产工艺。 由以下通式(I)代表的环烷基羰基氨基酸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，环 A 代表具有 5、6 或 7 个碳原子的环亚烷基）。
• CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1972615A1

  公开（公告）日：2008-09-24

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkane carboxamide derivative 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).

  本发明提供了具有选择性抑制 cathepsin K 作用的新型环烷烃羧酰胺衍生物及其生产工艺。 由以下通式(I)代表的环烷烃羧酰胺衍生物或其药学上可接受的盐： (其中R1和R2代表（取代的）烷基、（取代的）烯基、（取代的）炔基、（取代的）芳香烃基团或（取代的）杂环基团，环A代表具有5至7个碳原子的亚烷基，环B代表甲酰基或羟甲基）。