4-(4-chloro-2-fluorophenyl)-2-(2-ethoxypyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide | 874119-96-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 4-(4-chloro-2-fluorophenyl)-2-(2-ethoxypyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
• CAS: 874119-96-7
• 化学式: C₂₆H₂₁ClF₂N₆O₂
• 分子量: 522.942
• InChiKey: DSPVWAIHVFERDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(6-fluoro-1H-indazol-5-yl)-3-oxobutanamide 、 2-Ethoxypyridine-4-carboximidamide 、 4-氯-2-氟苯甲醛 在 potassium acetate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 生成 4-(4-chloro-2-fluorophenyl)-2-(2-ethoxypyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
  参考文献：
  名称：

  Potent, Selective and Orally Bioavailable Dihydropyrimidine Inhibitors of Rho Kinase (ROCK1) as Potential Therapeutic Agents for Cardiovascular Diseases

  摘要：

  Recent studies using known Rho-associated kinase isoform 1 (ROCK1) inhibitors along with cellular and molecular biology data have revealed a pivotal role of this enzyme in many aspects of cardiovascular function. Here we report a series of ROCK 1 inhibitors which were originally derived from a dihydropyrimidinone core 1. Our efforts focused oil the optimization of dihydropyrimidine 2. which resulted in the identification of a series of dihydropyrimidines with improved pharmacokinetics and P450 properties.

  DOI：

  10.1021/jm8005096

文献信息

• Novel Inhibitors of Rho-Kinases
  申请人：Sehon Clark A.

  公开号：US20080125427A1

  公开（公告）日：2008-05-29

  Novel inhibitors of Rho-kinases are disclosed.

  披露了Rho-kinases的新型抑制剂。