2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole | 127855-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑二氮卓类
• 英文名称: 2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole
• 英文别名: 2-methyl-1,3,4,5-tetrahydro-[1,3]diazepino[1,7-a]benzimidazole
• CAS: 127855-53-2
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: XGDPLSSDVRDCJC-UHFFFAOYSA-N

物化性质

• 熔点：
  153 °C
• 沸点：
  379.3±25.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (9ci)-2-(3-氯丙基)-1H-苯并咪唑 、 甲胺 、 二氯甲烷 生成 2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole
  参考文献：
  名称：

  KAUPP, GERD;SAILER, KLAUS, ANGEW. CHEM., 102,(1990) N, C. 917-919

  摘要：

  DOI：

文献信息

• Ferroportin inhibitors
  申请人：Vifor (International) AG

  公开号：US10364239B2

  公开（公告）日：2019-07-30

  The invention relates to novel compounds of the general formula (A-I), with Het-2 being an optionally substituted bicyclic heteroaryl of the formula (AA) pharmaceutical compositions comprising them and the use thereof as medicaments, in particular for the use as ferroportin inhibitors, more particularly for the use in the prophylaxis and/or treatment of diseases caused by a lack of hepcidin or iron metabolism disorders, such as particularly iron overload states such as in particular thalassemia and hemochromatosis.

  本发明涉及通式(A-I)的新型化合物，其中Het-2为通式(AA)的任选取代的双环杂芳基。本发明涉及由这些化合物组成的药物组合物及其作为药物的用途，特别是作为铁皮质素抑制剂的用途，尤其是用于预防和/或治疗由缺乏铁皮质素或铁代谢紊乱引起的疾病，如特别是铁过载状态，如地中海贫血症和血色病。
• Kaupp, Gerd; Sailer, Klaus, Angewandte Chemie, 1990, vol. 102, # 8, p. 917 - 919
  作者：Kaupp, Gerd、Sailer, Klaus

  DOI：——

  日期：——
• KAUPP, GERD;SAILER, KLAUS, ANGEW. CHEM., 102,(1990) N, C. 917-919
  作者：KAUPP, GERD、SAILER, KLAUS

  DOI：——

  日期：——
• Novel Ferroportin Inhibitors
  申请人：Vifor (International) AG

  公开号：US20190345151A1

  公开（公告）日：2019-11-14

  The invention relates to novel compounds of the general formula (I), with Het-2 being an optionally substituted bicyclic heteroaryl of the formula pharmaceutical compositions comprising them and the use thereof as medicaments, in particular for the use as ferroportin inhibitors, more particularly for the use in the prophylaxis and/or treatment of diseases caused by a lack of hepcidin or iron metabolism disorders, such as particularly iron overload states such as in particular thalassemia and hemochromatosis.