isoquinoline-3-carboxylic acid (4-[5-(3-methylsulfanyl-propyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl]-1H-benzoimidazol-2-yl)amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: isoquinoline-3-carboxylic acid (4-[5-(3-methylsulfanyl-propyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl]-1H-benzoimidazol-2-yl)amide
• 英文别名: N-[4-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
• 化学式: C₂₈H₂₇N₇O₂S₂
• 分子量: 557.7
• InChiKey: BPVULTMOQQNOBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  169
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  isoquinoline-3-carboxylic acid (4-[5-(3-methylsulfanyl-propyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl]-1H-benzoimidazol-2-yl)amide 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以47%的产率得到isoquinoline-3-carboxylic acid (4-[5-(3-methanesulfonyl-propyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl]-1H-benzoimidazol-2-yl)amide
  参考文献：
  名称：

  WO2006/99379

  摘要：

  公开号：
• 作为产物：
  描述：

  isoquinoline-3-carboxylic acid [7-(4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]amide 、 3-甲硫基丙醛 在 三乙酰氧基硼氢化钠 、 甲醇 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 以58%的产率得到isoquinoline-3-carboxylic acid (4-[5-(3-methylsulfanyl-propyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylcarbamoyl]-1H-benzoimidazol-2-yl)amide
  参考文献：
  名称：

  WO2006/99379

  摘要：

  公开号：

文献信息

• Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20090326006A1

  公开（公告）日：2009-12-31

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及抑制β位点淀粉样前体蛋白剪切酶（BACE）的苯并唑化合物，可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物，以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物的用途。
• Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20110065713A1

  公开（公告）日：2011-03-17

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及一种抑制 β-淀粉样前体蛋白裂解酶（BACE）的苯并咪唑化合物，该化合物可能在治疗或预防包括阿尔茨海默病在内的与BACE有关的疾病中有用。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗BACE参与的这类疾病中使用这些化合物和组合物。
• Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors
  申请人：High Point Pharmaceuticals, LLC

  公开号：EP2457901A1

  公开（公告）日：2012-05-30

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及抑制β位淀粉样前体蛋白切割酶（BACE）的苯甲唑化合物，这些化合物可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及 BACE 的此类疾病中的用途。
• US7893267B2
  申请人：——

  公开号：US7893267B2

  公开（公告）日：2011-02-22
• US8946259B2
  申请人：——

  公开号：US8946259B2

  公开（公告）日：2015-02-03