2-chloro-4-[[5-chloro-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-(p-tolylcarbamoyl)phenyl]disulfanyl]-5-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(p-tolyl)benzamide

• 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: 2-chloro-4-[[5-chloro-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-(p-tolylcarbamoyl)phenyl]disulfanyl]-5-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(p-tolyl)benzamide
• 英文别名: 2-chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-[(4-methylphenyl)carbamoyl]phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(4-methylphenyl)benzamide
• 化学式: C₄₀H₃₀Cl₂N₁₀O₆S₄
• 分子量: 945.912
• InChiKey: AIQNPBYJKYSKMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  62
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  301
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  2,3-二氨基吡啶 、 6-chloro-7-(4-methylphenylcarbamoyl)-3-methylthio-1,1-dioxo-1,4,2-benzodithiazine 在 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 50.0h， 以84%的产率得到2-chloro-4-[[5-chloro-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-(p-tolylcarbamoyl)phenyl]disulfanyl]-5-(3H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(p-tolyl)benzamide
  参考文献：
  名称：

  Synthesis and in vitro anticancer and anti-HIV evaluation of new 2-mercaptobenzenesulfonamides

  摘要：

  The reactions of 6-chloro-3-methylthio-1,4,2-benzodithiazine 1,1-dioxide derivatives with appropriate diamines were investigated. Depending on the reaction conditions 2-mercaptobenzenesulfonamide derivatives or their oxidation product disulfides were obtained. All the compounds were tested at the US National Cancer Institute (Bethesda) for their in vitro anticancer and anti-HIV activities. The highest sensibility against leukemia cell lines was found for bis[2-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)aminosulfonyl-5-chloro-4-(4-R-2 -phenylcarbamoyl)phenyl]disulfides (R-2 = H or Cl). The results of anti-HIV tests displayed moderate activity of N-(pirydo[3,2-d]imidazol-2-yl)-2-mercaptobenzenesulfonamide. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01095-3

文献信息

• Synthesis and in vitro anticancer and anti-HIV evaluation of new 2-mercaptobenzenesulfonamides
  作者：Elżbieta Pomarnacka、Anita Kornicka

  DOI：10.1016/s0014-827x(01)01095-3

  日期：2001.8

  The reactions of 6-chloro-3-methylthio-1,4,2-benzodithiazine 1,1-dioxide derivatives with appropriate diamines were investigated. Depending on the reaction conditions 2-mercaptobenzenesulfonamide derivatives or their oxidation product disulfides were obtained. All the compounds were tested at the US National Cancer Institute (Bethesda) for their in vitro anticancer and anti-HIV activities. The highest sensibility against leukemia cell lines was found for bis[2-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)aminosulfonyl-5-chloro-4-(4-R-2 -phenylcarbamoyl)phenyl]disulfides (R-2 = H or Cl). The results of anti-HIV tests displayed moderate activity of N-(pirydo[3,2-d]imidazol-2-yl)-2-mercaptobenzenesulfonamide. (C) 2001 Elsevier Science S.A. All rights reserved.