1-(2-Hydroxy-2-methoxyacetyl)pyrrolidine-2-carbonitrile | 943844-35-7

• 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: 1-(2-Hydroxy-2-methoxyacetyl)pyrrolidine-2-carbonitrile
• CAS: 943844-35-7
• 化学式: C₈H₁₂N₂O₃
• 分子量: 184.195
• InChiKey: QOMDCNYGSFTQPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-Hydroxy-2-methoxyacetyl)pyrrolidine-2-carbonitrile 、 在 三乙酰氧基硼氢化钠 、 sodium sulfate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 以72%的产率得到5H-Dibenzo(a,d)cycloheptene-2,8-dicarboxamide, 5-((2S)-2-((2-((2S)-2-cyano-1-pyrrolidinyl)-2-oxoethyl)amino)propyl)-10,11-dihydro-N2,N2,N8,N8-tetramethyl-5-(2H-tetrazol-5-yl)-
  参考文献：
  名称：

  2-吡咯烷硼烷诱导的醛亚硫酸氢加合物的直接还原胺化：在DPP-IV抑制剂的合成中的应用

  摘要：

  由不稳定的母体醛衍生的醛-亚硫酸氢盐加合物以直接方式与多种胺还原烷基化。该方法的特征是使用2-甲基吡啶硼烷作为还原剂和质子溶剂作为反应介质，并已成功应用于DPP-IV抑制剂和多种其他胺的合成。

  DOI：

  10.1021/jo3023878

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.
• 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.
• US7553861B2
  申请人：——

  公开号：US7553861B2

  公开（公告）日：2009-06-30