2-[8-(3-Aminoazepan-1-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl]benzonitrile | 485821-39-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-[8-(3-Aminoazepan-1-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl]benzonitrile
• 英文别名: 2-[[8-(3-Aminoazepan-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]benzonitrile
• CAS: 485821-39-4
• 化学式: C₂₁H₂₅N₇O₂
• 分子量: 407.475
• InChiKey: JPLPLQLHIGILRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-氯茶碱 、 2-氰基溴苄 以66%的产率得到2-[8-(3-Aminoazepan-1-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl]benzonitrile
  参考文献：
  名称：

  Heterocyclic compounds that are inhibitors of the enzyme DPP-IV

  摘要：

  本发明涉及公式I的治疗活性和选择性DPP-IV酶抑制剂，包括该化合物的药物组合物以及利用这些化合物制备用于治疗受DPP-IV失活蛋白质相关的疾病的药物，如2型糖尿病和肥胖症。

  公开号：

  US20030105077A1

文献信息

• DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES
  申请人：NOVO NORDISK A/S

  公开号：EP1404675A1

  公开（公告）日：2004-04-07
• US6869947B2
  申请人：——

  公开号：US6869947B2

  公开（公告）日：2005-03-22
• US7192952B2
  申请人：——

  公开号：US7192952B2

  公开（公告）日：2007-03-20
• [EN] DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES<br/>[FR] DERIVES DE PURINE INHIBITEURS DE DPP-IV POUR LE TRAITEMENT DU DIABETE
  申请人：NOVO NORDISK AS

  公开号：WO2003004496A1

  公开（公告）日：2003-01-16

  The present invention relates to therapeutically active and selective inhibitors of the enzyme DPP-IV of formula I, pharmaceutical compositions comprising the compounds and the use of such compounds for and the manufacture of medicaments for treating diseases that are associated with proteins that are subject to inactivation by DPP-IV, such as type 2 diabetes and obesity. (I)
• [EN] HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS<br/>[FR] SELS SUCCINIQUES D'INHIBITEURS HETEROCYCLIQUES DE DPP-IV
  申请人：NOVO NORDISK AS

  公开号：WO2004033455A2

  公开（公告）日：2004-04-22

  The present invention relates to therapeutically active and selective hemisuccinate salts of inhibitors of the enzyme DPP-IV of formula (I), pharmaceutical compositions comprising the salts and the use of such salts for and the manufacture of medicaments for treating diseases that are associated with proteins that are subject to inactivation by DPP-IV, such as type 2 diabetes and obesity.