5-Bromo-2-{5-[N-(4-bromophenyl)carbamoyl]pentanoylamino}benzoic acid

• 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: 5-Bromo-2-{5-[N-(4-bromophenyl)carbamoyl]pentanoylamino}benzoic acid
• 英文别名: 5-bromo-2-[[6-(4-bromoanilino)-6-oxohexanoyl]amino]benzoic acid
• 化学式: C₁₉H₁₈Br₂N₂O₄
• 分子量: 498.171
• InChiKey: LKXVZIINNOKKQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲基脂肪酰氯 在 吡啶 、 sodium hydroxide 、 草酰氯 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-Bromo-2-{5-[N-(4-bromophenyl)carbamoyl]pentanoylamino}benzoic acid
  参考文献：
  名称：

  Biaryl acids: Novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2

  摘要：

  A series of biaryl acids has been found to show micromolar inhibition of the HIV reverse transcriptase (RT) from types 1 and 2 with IC(50)s in the micromolar range. The series was discovered by consideration of the polymerase active site and sub-structure searching of the company compound collection. Synthesis of analogues to investigate the SAR is described. Two of these compounds have shown inhibition of HIV-2 RT only. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00214-5

文献信息

• Biaryl acids: Novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2
  作者：J. Milton、M.J. Slater、A.J. Bird、D. Spinks、G. Scott、C.E. Price、S. Downing、D.V.S. Green、S. Madar、R. Bethell、D.K. Stammers

  DOI：10.1016/s0960-894x(98)00214-5

  日期：1998.10

  A series of biaryl acids has been found to show micromolar inhibition of the HIV reverse transcriptase (RT) from types 1 and 2 with IC(50)s in the micromolar range. The series was discovered by consideration of the polymerase active site and sub-structure searching of the company compound collection. Synthesis of analogues to investigate the SAR is described. Two of these compounds have shown inhibition of HIV-2 RT only. (C) 1998 Elsevier Science Ltd. All rights reserved.