4-(4-(4-(mesitylamino)-6-(methylamino)-1,3,5-triazin-2-ylamino)piperidine-1-carbonyl)benzoic acid | 1352803-92-9

• 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-(4-(4-(mesitylamino)-6-(methylamino)-1,3,5-triazin-2-ylamino)piperidine-1-carbonyl)benzoic acid
• 英文别名: 4-[4-[[4-(Methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carbonyl]benzoic acid
• CAS: 1352803-92-9
• 化学式: C₂₆H₃₁N₇O₃
• 分子量: 489.577
• InChiKey: QZZQNIFXNPLJGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N2-mesityl-N4-methyl-N6-(1-Boc-piperidin-4-yl)-1,3,5-triazine-2,4,6-triamine 在 N,N'-羰基二咪唑 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(4-(4-(mesitylamino)-6-(methylamino)-1,3,5-triazin-2-ylamino)piperidine-1-carbonyl)benzoic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of piperidine-substituted triazine derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitors

  摘要：

  A novel series of piperidine-substituted triazine derivatives have been synthesized and evaluated for anti-HIV activities in MT-4 cells. Most compounds displayed extremely promising activity against wildtype HIV-1 with EC50 values in low nanomolar concentration, better than that of Nevirapine, Delavirdine, Zidovudine and Dideoxycitidine, and higher potency towards the resistant mutant strain K103N/Y181C than that of Nevirapine and Delavirdine. Selected compounds were also assayed against reverse transcriptase with lower IC50 values than that of Nevirapine. The structure-activity relationship (SAR) of these novel structural congeners was also discussed. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.019