4-(imidazo[1,2-a]pyridin-5-ylthio)butanoic [3-(1,1,6,8-tetraoxo-9-phenyl-2,3,4,8-tetrahydropyrimido[6,1-b][1,3]thiazin-7-yl)propyl]amide | 175142-71-9

• 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: 4-(imidazo[1,2-a]pyridin-5-ylthio)butanoic [3-(1,1,6,8-tetraoxo-9-phenyl-2,3,4,8-tetrahydropyrimido[6,1-b][1,3]thiazin-7-yl)propyl]amide
• 英文别名: 4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide
• CAS: 175142-71-9
• 化学式: C₂₇H₂₉N₅O₅S₂
• 分子量: 567.69
• InChiKey: AUROBHJFOXUPRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  155
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(imidazo[1,2-a]pyridin-5-ylthio)butanoic [3-(1,1,6,8-tetraoxo-9-phenyl-2,3,4,8-tetrahydropyrimido[6,1-b][1,3]thiazin-7-yl)propyl]amide 、 ethyl acetate hydrochloride 在 乙醚 作用下， 以 甲醇 为溶剂， 以to yield 658 mg (90.7%, white crystal) of the desired product的产率得到4-(imidazo[1,2-a]pyridin-5-ylthio)butanoic [3-(1,1,6,8-tetraoxo-9-phenyl-2,3,4,8-tetrahydropyrimido[6,1-b][1,3]thiazin-7-yl)propyl]amide hydrochloride
  参考文献：
  名称：

  Imidazopyridine or imidazopyrimidine compounds, their production and use

  摘要：

  这项发明提供了一种新的紧缩咪唑化合物，具有抑制粘附分子表达的活性。这项发明还提供了治疗和预防糖尿病肾病和/或自身免疫疾病的药物以及器官移植的免疫抑制剂。

  公开号：

  US05840732A1
• 作为产物：
  描述：

  4-(imidazo[1,2-a]pyridine-5-ylthio)butanoic acid 、 3-(1,1,6,8-tetraoxo-9-phenyl-2,3,4,8-tetrahydropyrimido[6,1-b][1,3]thiazin-7-yl)propylamine hydrochloride 在 1-羟基苯并三唑 、 三乙胺 作用下， 以 二氯甲烷 、 水 为溶剂， 以683.9 mg (48.2%, white oily substance)的产率得到4-(imidazo[1,2-a]pyridin-5-ylthio)butanoic [3-(1,1,6,8-tetraoxo-9-phenyl-2,3,4,8-tetrahydropyrimido[6,1-b][1,3]thiazin-7-yl)propyl]amide
  参考文献：
  名称：

  Imidazopyridine or imidazopyrimidine compounds, their production and use

  摘要：

  这项发明提供了一种新的具有抑制粘附分子表达活性的缩合咪唑化合物。该发明还提供了一种治疗和预防糖尿病肾病和/或自身免疫疾病的药剂，以及一种用于器官移植的免疫抑制剂。

  公开号：

  US05840732A1

文献信息

• CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0767790B1

  公开（公告）日：2001-12-12
• Therapeutic Methods For Type I Diabetes
  申请人：Davis Roger J.

  公开号：US20120208846A1

  公开（公告）日：2012-08-16

  The invention relates to the treatment and prevention of type I diabetes. More specifically, the invention relates to compounds that treat or prevent the body's immune system from destroying β-cells (i.e., insulin-producing cells in the pancreatic islets of Langerhans) by inhibition of JNK2, selective inhibition of JNK2, or inhibition of the expression of the MAPK9 gene or gene product. In one embodiment, the present invention contemplates the diagnosis, identification, production, and use of compounds which modulate MAPK9 gene expression or the activity of the MAPK9 gene product including but not limited to, JNK2, the nucleic acid encoding MAPK9 and homologues, analogues, and deletions thereof, as well as antisense, ribozyme, triple helix, antibody, and polypeptide molecules as well as small inorganic molecules. The present invention contemplates a variety of pharmaceutical formulations and routes of administration for such compounds.
• Therapeutic Methods for Type I Diabetes
  申请人：UNIVERSITY OF MASSACHUSETTS

  公开号：US20150313881A1

  公开（公告）日：2015-11-05

  The invention relates to the treatment and prevention of type I diabetes. More specifically, the invention relates to compounds that treat or prevent the body's immune system from destroying β-cells (i.e., insulin-producing cells in the pancreatic islets of Langerhans) by inhibition of JNK2, selective inhibition of JNK2, or inhibition of the expression of the MAPK9 gene or gene product. In one embodiment, the present invention contemplates the diagnosis, identification, production, and use of compounds which modulate MAPK9 gene expression or the activity of the MAPK9 gene product including but not limited to, JNK2, the nucleic acid encoding MAPK9 and homologues, analogues, and deletions thereof, as well as antisense, ribozyme, triple helix, antibody, and polypeptide molecules as well as small inorganic molecules. The present invention contemplates a variety of pharmaceutical formulations and routes of administration for such compounds.
• US7897572B1
  申请人：——

  公开号：US7897572B1

  公开（公告）日：2011-03-01
• US8501812B2
  申请人：——

  公开号：US8501812B2

  公开（公告）日：2013-08-06