integracin A

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: integracin A
• 英文别名: 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2-(8-acetyloxyundecyl)-4,6-dihydroxybenzoate
• 化学式: C₃₇H₅₆O₈
• 分子量: 628.847
• InChiKey: LCCCZIASPPCLCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  45
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  integracin A 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 5-(8-hydroxyundecyl)benzene-1,3-diol
  参考文献：
  名称：

  Discovery, structure and HIV-1 integrase inhibitory activities of integracins, novel dimeric alkyl aromatics from Cytonaema sp.

  摘要：

  Integrase is a critical viral enzyme for HIV-1 replication and is a novel target for therapeutic intervention against HIV infections. Integracins A-C are three novel dimeric alkyl aromatic inhibitors of HIV-1 integrase discovered from the screening of fungal extracts using,in in vitro assay. These compounds inhibit both coupled and strand transfer activity of HIV-1 integrase with IC50 values of 3.2-6.1 and 17-88 muM, respectively. The discovery, structure and activity of these compounds are described. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)00083-7

文献信息

• Discovery, structure and HIV-1 integrase inhibitory activities of integracins, novel dimeric alkyl aromatics from Cytonaema sp.
  作者：Sheo B. Singh、Deborah L. Zink、Gerald F. Bills、Fernando Pelaez、Ana Teran、Javier Collado、Keith C. Silverman、Russell B. Lingham、Peter Felock、Daria J. Hazuda

  DOI：10.1016/s0040-4039(02)00083-7

  日期：2002.2

  Integrase is a critical viral enzyme for HIV-1 replication and is a novel target for therapeutic intervention against HIV infections. Integracins A-C are three novel dimeric alkyl aromatic inhibitors of HIV-1 integrase discovered from the screening of fungal extracts using,in in vitro assay. These compounds inhibit both coupled and strand transfer activity of HIV-1 integrase with IC50 values of 3.2-6.1 and 17-88 muM, respectively. The discovery, structure and activity of these compounds are described. (C) 2002 Published by Elsevier Science Ltd.