(2S)-1-(2-Oxoacetyl)-2-pyrrolidinecarbonitrile | 943846-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (2S)-1-(2-Oxoacetyl)-2-pyrrolidinecarbonitrile
• 英文别名: (2S)-1-oxaldehydoylpyrrolidine-2-carbonitrile
• CAS: 943846-13-7
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: CNKOAEPBHJPHFS-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2S)-1-(2-Oxoacetyl)-2-pyrrolidinecarbonitrile 、 2-(2-Aminoethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile 、 (2S)-1-(2-Hydroxy-2-methoxyacetyl)-2-pyrrolidinecarbonitrile 在 盐酸 、 sodium cyanoborohydride 作用下， 以 乙醇 、 水 为溶剂， 反应 0.17h， 以17%的产率得到(2S)-1-[2-[2-(2-cyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
  参考文献：
  名称：

  [EN] DIPEPTIDYL PEPTIDASE-IV INHIBITORS
  [FR] INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE IV

  摘要：

  公开号：

  WO2006116157A3
• 作为产物：
  描述：

  甲醇 、 (2S,2a(2)S)-1,1a(2)-[(2E)-1,4-Dioxo-2-butene-1,4-diyl]bis[2-pyrrolidinecarbonitrile] 在 臭氧 、 二甲基硫 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 (2S)-1-(2-Oxoacetyl)-2-pyrrolidinecarbonitrile 、 (2S)-1-(2-Hydroxy-2-methoxyacetyl)-2-pyrrolidinecarbonitrile
  参考文献：
  名称：

  [EN] DIPEPTIDYL PEPTIDASE-IV INHIBITORS
  [FR] INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE IV

  摘要：

  公开号：

  WO2006116157A3

文献信息

• DIPEPTIDYL PEPTIDASE-IV INHIBITORS
  申请人：Alantos Pharmaceuticals Holding, Inc.

  公开号：EP1888562B1

  公开（公告）日：2014-06-18
• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Dipeptidyl Peptidase-IV Inhibitors
  申请人：KROTH Heiko

  公开号：US20110112051A1

  公开（公告）日：2011-05-12

  The present invention relates generally to pyrrolidine and thiazolidine DPP-IV inhibitor compounds. The present invention also provides synthetic methods for preparation of such compounds, methods of inhibiting DPP-IV using such compounds and pharmaceutical formulations containing them for treatment of DPP-IV mediated diseases, in particular, Type-2 diabetes.
• HETEROBICYCLIC METALLOPROTEASE INHIBITORS
  申请人：Steeneck Christoph

  公开号：US20120015920A1

  公开（公告）日：2012-01-19

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.