4-(4-fluorophenyl)-N-1H-indazol-5-yl-6-methyl-2-phenyl-1,4-dihydro-5-pyrimidinecarboxamide

• 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-fluorophenyl)-N-1H-indazol-5-yl-6-methyl-2-phenyl-1,4-dihydro-5-pyrimidinecarboxamide
• 英文别名: 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxamide
• 化学式: C₂₅H₂₀FN₅O
• 分子量: 425.465
• InChiKey: PXFUWAWMHRRZOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氟苯甲醛 、 N-1H-吲唑-5-基-3-氧代-丁酰胺 、 苯甲脒 在 potassium acetate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 生成 4-(4-fluorophenyl)-N-1H-indazol-5-yl-6-methyl-2-phenyl-1,4-dihydro-5-pyrimidinecarboxamide
  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

• [EN] NOVEL INHIBITORS OF RHO-KINASES<br/>[FR] INHIBITEURS NOVATEURS DE PROTÉINES RHO-KINASES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2006009889A1

  公开（公告）日：2006-01-26

  Novel inhibitors of Rho-kinases are disclosed.

  小说的Rho激酶抑制剂被披露。
• 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。
• NOVEL INHIBITORS OF RHO-KINASES
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1756092A1

  公开（公告）日：2007-02-28