dimethyl 3-chloro-1,2,4-triazine-5,6-dicarboxylate | 1203572-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: dimethyl 3-chloro-1,2,4-triazine-5,6-dicarboxylate
• CAS: 1203572-07-9
• 化学式: C₇H₆ClN₃O₄
• 分子量: 231.595
• InChiKey: JEOJNYOJTJNEDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  91.27
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  dimethyl 3-chloro-1,2,4-triazine-5,6-dicarboxylate 、 苄胺 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  New small molecule inhibitors of hepatitis C virus

  摘要：

  New small molecule inhibitors of HCV were discovered by screening a small library of indoline alkaloid-type compounds. An automated assay format was employed which allowed identification of dimerization inhibitors of core, the capsid protein of the virus. These compounds were subsequently shown to block production of infectious virus in hepatoma cells. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.070
• 作为产物：
  描述：

  Dimethyl 3-(methylthio)-1,2,4-triazine-5,6-dicarboxylate 在 氯 作用下， 生成 dimethyl 3-chloro-1,2,4-triazine-5,6-dicarboxylate
  参考文献：
  名称：

  New small molecule inhibitors of hepatitis C virus

  摘要：

  New small molecule inhibitors of HCV were discovered by screening a small library of indoline alkaloid-type compounds. An automated assay format was employed which allowed identification of dimerization inhibitors of core, the capsid protein of the virus. These compounds were subsequently shown to block production of infectious virus in hepatoma cells. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.070

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF HEPATITIS C VIRUS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C SE PRÉSENTANT SOUS LA FORME DE PETITES MOLÉCULES
  申请人：UNIV BOSTON

  公开号：WO2011056630A3

  公开（公告）日：2011-09-09