N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-methylbenzenesulfonamide | 911496-72-5

• 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: N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
• CAS: 911496-72-5
• 化学式: C₁₇H₂₀N₄O₄S₂
• 分子量: 408.502
• InChiKey: WFVCIFSQGUOCOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(isopropylsulfonyl)-1H-benzo[d]imidazol-2,5-diamine 、 对甲苯磺酰氯 在 吡啶 作用下， 以73%的产率得到N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Identification of 1-isopropylsulfonyl-2-amine benzimidazoles as a new class of inhibitors of hepatitis B virus

  摘要：

  A series of 1-isopropylsulfonyl-2-amine benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. In general, these derivatives are potent HBV inhibitors (IC50 < 4 mu M) with high selectivity indices (SIs > 40). Compounds 5b-e, g, j, and 9a were among the most prominent compounds, with IC(50)s of 0.70-2.0 mu M and SIs of 41-274. The potent anti-HBV activity and safety profiles of the most promising compounds 5d and j (IC(50)s = 0.70 mu M, SIs > 120) demonstrate the potential of this series of benzimidazoles for the development of new anti-HBV drugs. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.03.005

文献信息

• Identification of 1-isopropylsulfonyl-2-amine benzimidazoles as a new class of inhibitors of hepatitis B virus
  作者：Yun-Fei Li、Gui-Feng Wang、Yu Luo、Wei-Gang Huang、Wei Tang、Chun-Lan Feng、Li-Ping Shi、Yu-Dan Ren、Jian-Ping Zuo、Wei Lu

  DOI：10.1016/j.ejmech.2007.03.005

  日期：2007.11

  A series of 1-isopropylsulfonyl-2-amine benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. In general, these derivatives are potent HBV inhibitors (IC50 < 4 mu M) with high selectivity indices (SIs > 40). Compounds 5b-e, g, j, and 9a were among the most prominent compounds, with IC(50)s of 0.70-2.0 mu M and SIs of 41-274. The potent anti-HBV activity and safety profiles of the most promising compounds 5d and j (IC(50)s = 0.70 mu M, SIs > 120) demonstrate the potential of this series of benzimidazoles for the development of new anti-HBV drugs. (C) 2007 Elsevier Masson SAS. All rights reserved.