4-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 5380-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
• CAS: 5380-68-7
• 化学式: C17H9ClF3N3O4
• 分子量: 411.7
• InChiKey: PEQWUDCIMNSWLR-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Barbituric acid derivatives
  申请人：——

  公开号：US20020187991A1

  公开（公告）日：2002-12-12

  Derivatives of 5,5-disubstituted pyrimidine-2,4,6-trianones are disclosed. These compounds have antitumor and antimetastatic activity.

  5,5-二取代嘧啶-2,4,6-三酮的衍生物已被披露。这些化合物具有抗肿瘤和抗转移活性。
• Pyrimidones with antiviral properties
  申请人：Axxima Pharmaceuticals Aktiengesellschaft

  公开号：EP1389461A1

  公开（公告）日：2004-02-18

  The present invention relates to vinylpyrimidine-2-one derivatives of the general formula (I): Furthermore the present invention relates to vinylpyrimidine-2-one derivatives and of the general formula (Ia): wherein R1 to R6 in formula (I) and in formula (Ia) represent independently of each other a variety of different substituents comprising alkyl, aryl, aralkyl, alkylaryl, heteroaryl groups and monofunctional moieties. The compounds are used as antivirals, especially against herpes and HCMV (Human Cytomegalovirus).

  本发明涉及一般式(I)的乙烯基嘧啶-2-酮衍生物，以及一般式(Ia)的乙烯基嘧啶-2-酮衍生物，其中在式(I)和式(Ia)中，R1至R6独立地表示各种不同的取代基，包括烷基，芳基，芳基烷基，烷基芳基，杂环芳基和单官能团。该化合物可用作抗病毒药物，特别是用于抗疱疹病毒和人类巨细胞病毒(HCMV)。
• NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1383746A2

  公开（公告）日：2004-01-28
• US6716845B2
  申请人：——

  公开号：US6716845B2

  公开（公告）日：2004-04-06
• [EN] NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS<br/>[FR] NOUVEAUX DERIVES DE PYRIMIDINE-2,4,6-TRIONE, PROCEDES DE PREPARATION CORRESPONDANTS, ET AGENTS PHARMACEUTIQUES CONTENANT CES COMPOSES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002079170A2

  公开（公告）日：2002-10-10

  Compounds of formula I, wherein R1 represents a substituted or unsubstituted phenyl, phenoxy, phenylthio, phenylsulfenyl, phenylsufonyl, phenylamino or phenylmethyl residue, R2 is hydrogen, R3 represents hydrogen or alkyl, R4 represents alkyl, aryl, aralkyl, heteryl or acyl, and R2 and R3 and R4 form a piperazin ring which can be substituted, with metalloproteinase inhibitor activity.