Benzenesulfonic acid, 5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]- | 119-74-4

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Benzenesulfonic acid, 5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]-
• 英文别名: 5-amino-2-[2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid
• CAS: 119-74-4
• 化学式: C₁₈H₁₇N₃O₇S₂
• 分子量: 451.5
• InChiKey: OQZZKKAUSICVQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  184
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS
  申请人：Universität Basel

  公开号：EP1261587B1

  公开（公告）日：2003-07-16
• [EN] STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS<br/>[FR] DERIVES DE STILBENE, PREPARATION ET UTILISATION COMME AGENTS ANTIVIRAUX
  申请人：UNIV BASEL

  公开号：WO2001040194A1

  公开（公告）日：2001-06-07

  The invention relates to the use of a compound of formula (I), wherein Q, A, D, m and n have the meanings given in the specification, or a tautomer thereof; or a salt or a complex salt thereof where at least one salt-forming or complex-forming group is present, as inhibitor of the interaction of a transcriptional regulator with a retroviral response element or with cellular elements such as proteins or nucleic acids, which lead to the activation of cellular proteins promoting or essential for HIV infection, especially HIV coreceptors, such as CXCR4, for the treatment of a virus disease, as an antiretroviral therapeutic inhibiting the interaction of a transcriptional regulator with a retroviral response element or inhibiting additional specific functions of Tat, such as activation of cellular HIV-promoting processes, especially expression of cellular coreceptors for HIV, especially CXCR4, and to pharmaceutical preparations appropriate for said purposes; and to new compounds of that type, tautomers thereof, salts or complex salts thereof.