1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(3,4-dihydroxy-phenylmethanediyl)-bis-pyrazol-3-one | 1808-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-(3,4-dihydroxy-phenylmethanediyl)-bis-pyrazol-3-one
• 英文别名: 4-[(3,4-Dihydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
• CAS: 1808-50-0
• 化学式: C₂₉H₂₈N₄O₄
• mdl: MFCD00813418
• 分子量: 496.566
• InChiKey: SXXAOSNBGRKTRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS
  申请人：Neamati Nouri

  公开号：US20090088420A1

  公开（公告）日：2009-04-02

  Pharmacophore models to be used in drug design and discovery are provided. An in silico protocol and in vitro assays are presented. Compounds and their pharmaceutically acceptable salts with HIV-1 integrase inhibitory and anti-HIV activity and use thereof in the treatment of HIV/AIDS and related infections either alone or in combination with all the known antiretroviral therapeutics are described.
• US8183236B2
  申请人：——

  公开号：US8183236B2

  公开（公告）日：2012-05-22