6-(2,6-difluorophenylmethyl)-3,4-dihydro-2-(methylthiomethylthio)pyrimidin-4(3H)-one

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-(2,6-difluorophenylmethyl)-3,4-dihydro-2-(methylthiomethylthio)pyrimidin-4(3H)-one
• 英文别名: 6-(2,6-difluorophenymethyl)-3,4-dihydro-2-(methylthiomethyl)thiopyrimidin-4-(3H)-one；6-(2,6-Difluoro-benzyl)-2-methylsulfanylmethylsulfanyl-3H-pyrimidin-4-one；4-[(2,6-difluorophenyl)methyl]-2-(methylsulfanylmethylsulfanyl)-1H-pyrimidin-6-one
• 化学式: C₁₃H₁₂F₂N₂OS₂
• 分子量: 314.38
• InChiKey: VEIOOOYOMMAVCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,6-二氟苯乙酸 在 sodium ethanolate 、 potassium carbonate 、 三乙胺 、 magnesium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 6-(2,6-difluorophenylmethyl)-3,4-dihydro-2-(methylthiomethylthio)pyrimidin-4(3H)-one
  参考文献：
  名称：

  Sbardella, Gianluca; Mai, Antonello; Artico, Marino, Medicinal Chemistry Research, 2000, vol. 10, # 1, p. 30 - 39

  摘要：

  DOI：

文献信息

• Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4- oxopyrimidines
  申请人：Idenix Pharmaceuticals, Inc.

  公开号：US20030225114A1

  公开（公告）日：2003-12-04

  A method for inhibiting sexual transmission of HIV comprising topically applying to the skin or epithelial tissue of a human a composition comprising a non-nucleoside reverse transcriptase inhibitor (“NNRTI”) that is able to inhibit viral replication for periods exceeding 12, 24, or even 36 days, at concentrations below even 10 &mgr;M. In one embodiment the NNRTI is a dihydro-alkyloxy-benzyl-oxopyrimidine (DABO).

  一种抑制艾滋病毒性传播的方法，包括在人的皮肤或上皮组织局部施用一种组合物，该组合物包含一种非核苷类逆转录酶抑制剂（"NNRTI"），它能够抑制病毒复制超过 12、24 或甚至 36 天，浓度甚至低于 10 &mgr;M。在一个实施方案中，NNRTI 是一种二氢-烷氧基-苄基-氧代嘧啶（DABO）。
• Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines
  申请人：Sommadossi Jean-Pierre

  公开号：US20060106044A1

  公开（公告）日：2006-05-18

  A method for inhibiting sexual transmission of HIV comprising topically applying to the skin or epithelial tissue of a human a composition comprising a non-nucleoside reverse transcriptase inhibitor (“NNRTI”) that is able to inhibit viral replication for periods exceeding 12, 24, or even 36 days, at concentrations below even 10 uM. In one embodiment the NNRTI is a dihydro-alkyloxy-benzyl-oxopyrimidine (DABO).

  一种抑制艾滋病毒性传播的方法，包括在人的皮肤或上皮组织局部施用一种组合物，该组合物包含一种非核苷类逆转录酶抑制剂（"NNRTI"），它能够在低于甚至 10 uM 的浓度下抑制病毒复制超过 12、24 或甚至 36 天。在一个实施方案中，NNRTI 是一种二氢-烷氧基-苄基-氧代嘧啶（DABO）。
• SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Novirio Pharmaceuticals Limited

  公开号：EP1098887A1

  公开（公告）日：2001-05-16
• METHODS FOR INHIBITING THE TRANSMISSION OF HIV USING TOPICALLY APPLIED SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES
  申请人：Idenix (Cayman) Limited

  公开号：EP1343502A2

  公开（公告）日：2003-09-17
• [EN] SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] 6-BENZYL-4-OXOPYRIMIDINES SUBSTITUES, PROCEDE POUR LEUR PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：NOVIRIO PHARMACEUTICALS LIMITE

  公开号：WO2000003998A1

  公开（公告）日：2000-01-27

  The invention concerns novel substituted 6-benzyl-4-oxopyrimidines of general formula (A). These compounds inhibit reverse transcriptase encoded by human immunodeficiency virus (HIV) or pharmaceutically acceptable salts thereof, and find their application in the prevention and treatment of HIV infection and the treatment of the resulting acquired immune deficiency syndrome (AIDS). Pharmaceutical compositions containing the compounds and a method of use of the present compounds and other agents for the treatment of AIDS and viral infection by HIV are also envisaged.