4-[[4-[4-[2-Cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]benzonitril | 500292-34-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[[4-[4-[2-Cyanoethenyl]-2-methylphenoxy]-2-pyrimidinyl]amino]benzonitril
• 英文别名: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile；4-[[4-[4-[(E)-2-cyanoethenyl]-2-methylphenoxy]pyrimidin-2-yl]amino]benzonitrile
• CAS: 500292-34-2
• 化学式: C₂₁H₁₅N₅O
• 分子量: 353.383
• InChiKey: UJSUZEWLZNRPRQ-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1597237A1

  公开（公告）日：2005-11-23
• Pyrimidine derivatives for the prevention of HIV infection
  申请人：Janssen Pharmaceutica NV

  公开号：EP1597237B1

  公开（公告）日：2016-07-27
• Pyrimidine derivatives for the prevention of hiv infection
  申请人：Heeres Jan

  公开号：US20070021449A1

  公开（公告）日：2007-01-25

  This invention concerns the use of a compound for the manufacture of a medicament for the prevention of HIV infection via sexual intercourse and related intimate contact between partners, wherein the compound is a compound of formula (I) a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein the ring containing -a 1 =a 2 -a 3 =a 4 - and -b 1 =b 2 -b 3 =b 4 - represents phenyl, pyridyl, pyrimidinyl, pirazinyl, pyridazinyl; and pharmaceutical compositions comprising them.
• US8828982B2
  申请人：——

  公开号：US8828982B2

  公开（公告）日：2014-09-09
• [EN] PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION<br/>[FR] DERIVES DE PYRIMIDINE UTILISES DANS LA PREVENTION DES INFECTIONS PAR LE VIH
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004069812A1

  公开（公告）日：2004-08-19

  This invention concerns the use of a compound for the manufacture of a medicament for the prevention of HIV infection via sexual intercourse and related intimate contact between partners, wherein the compound is a compound of formula (I) a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein the ring containing -a1=a2-a3=a4- and -b1=b2-b3=b4- represents phenyl, pyridyl, pyrimidinyl, pirazinyl, pyridazinyl; and pharmaceutical compositions comprising them.