5-amino-2-[(3-chlorophenyl)methyl]-2,7-dihydro-7-[2-(4-methyl-1-piperazinyl)ethyl]-3H-pyrazolo[4,3-e]-1,2,4-triazolo[4,3-c]pyrimidin-3-one | 1186410-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-amino-2-[(3-chlorophenyl)methyl]-2,7-dihydro-7-[2-(4-methyl-1-piperazinyl)ethyl]-3H-pyrazolo[4,3-e]-1,2,4-triazolo[4,3-c]pyrimidin-3-one
• 英文别名: 7-Amino-4-[(3-chlorophenyl)methyl]-10-[2-(4-methylpiperazin-1-yl)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
• CAS: 1186410-49-0
• 化学式: C₂₀H₂₄ClN₉O
• 分子量: 441.923
• InChiKey: POTFFFDMFWWGFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  98.6
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 1,2,4-TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE AND PYRAZOLO [4,3-E]-1,2,4-TRIAZOLO [4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2262811B1

  公开（公告）日：2016-04-27
• 1,2,4-TRIAZOLO[4,3-c]PYRIMIDIN-3-ONE AND PYRAZOLO[4,3-e]-1,2,4-TRIAZOLO[4,3-c]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS
  申请人：Harris Joel M.

  公开号：US20110152256A1

  公开（公告）日：2011-06-23

  Compounds of the Formula I wherein R 1 and R 2 together with the carbon atoms to which they are bonded optionally form a further heteroaromatic ring of the formula (II) as well as pharmaceutically acceptable salts, solvates, esters and prodrugs thereof are adenosine A2a receptor antagonists and, therefore, are useful in the treatment of central nervous system diseases, in particular Parkinson's disease.
• US8222259B2
  申请人：——

  公开号：US8222259B2

  公开（公告）日：2012-07-17