2-methylthio-6-[4-(4-morpholino)anilino]-4-[4-(ethoxycarbonylmethyl)piperazin-1-yl]pyrimidine | 613668-77-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-methylthio-6-[4-(4-morpholino)anilino]-4-[4-(ethoxycarbonylmethyl)piperazin-1-yl]pyrimidine
• 英文别名: Ethyl 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]acetate
• CAS: 613668-77-2
• 化学式: C₂₃H₃₂N₆O₃S
• 分子量: 472.611
• InChiKey: SKSDVAJHWRXGQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-methylthio-6-[4-(4-morpholino)anilino]-4-[4-(ethoxycarbonylmethyl)piperazin-1-yl]pyrimidine 在 甲醇 、 sodium hydroxide 、 3,5-二氯-2-羟基苯磺酰氯 、 水 、 三乙胺 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 34.0h， 生成 2-methylthio-6-[4-(4-morpholino)anilino]-4-[4-[[N-[2-(dimethylamino)ethyl]-N-methylcarbamoyl]methyl]piperazin-1-yl]pyrimidine
  参考文献：
  名称：

  WO2006/137706

  摘要：

  公开号：
• 作为产物：
  描述：

  4,6-二氯-二甲硫基嘧啶 在 三乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 82.0h， 生成 2-methylthio-6-[4-(4-morpholino)anilino]-4-[4-(ethoxycarbonylmethyl)piperazin-1-yl]pyrimidine
  参考文献：
  名称：

  WO2006/137706

  摘要：

  公开号：

文献信息

• 6-(4-substituted-anilino)pyrimidine derivates, method for preparation thereof and antiviral pharmaceutical composition comprising the same
  申请人：Kim Jong-Woo

  公开号：US20050222150A1

  公开（公告）日：2005-10-06

  The present invention relates to 6-(4-substituted-anilino)pyrimidine derivatives useful as an antiviral agent, and more particularly novel 6-(4-substituted-anilino)pyrimidine derivatives having an excellent inhibitory effect on replication of Hepatitis C virus; HCV), represented by the following formula I: in which R represents a C 1 -C 4 straight or branched alkoxycarbonyl group, heterocycliccarbonyl group or carboxyalkyl group; and pharmaceutically acceptable salts thereof, a preparation method thereof, and an antiviral pharmaceutical composition comprising the compound as an effective ingredient. The 6-(4-substituted-anilino)pyrimidine derivatives according to the present invention have an excellent inhibitory effect on replication of Hepatitis C virus (HCV) and thus can be advantageously used as a therapeutic or prophylactic agent of hepatitis C.

  本发明涉及可用作抗病毒剂的 6-(4-取代-苯胺基)嘧啶衍生物，尤其是对丙型肝炎病毒（HCV）的复制具有极佳抑制作用的新型 6-(4-取代-苯胺基)嘧啶衍生物，由下式 I 表示： 其中 R 代表 C 1 -C 4 直链或支链烷氧基羰基、杂环羰基或羧基烷基；及其药学上可接受的盐、其制备方法和包含该化合物作为有效成分的抗病毒药物组合物。根据本发明的 6-(4-取代-苯胺基)嘧啶衍生物对丙型肝炎病毒（HCV）的复制有很好的抑制作用，因此可作为丙型肝炎的治疗或预防药物。
• 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：B & C Biopharm

  公开号：EP1490358A1

  公开（公告）日：2004-12-29
• EP1490358A4
  申请人：——

  公开号：EP1490358A4

  公开（公告）日：2006-04-12
• US7276501B2
  申请人：——

  公开号：US7276501B2

  公开（公告）日：2007-10-02
• [EN] 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] DERIVES DE 6-(ANILINO-4-SUBSTITUE)PYRIMIDINE, PROCEDE DE PREPARATION DE CES DERIVES ET COMPOSITION PHARMACEUTIQUE ANTIVIRALE LES CONTENANT
  申请人：B & C BIOPHARM

  公开号：WO2003084953A1

  公开（公告）日：2003-10-16

  The present invention relates to 6(4-substituted-anilino)pyrimidine derivatives useful as an antiviral agent, and more particularly novel 6(4-substituted-anilino)pyrimidine derivatives having an excellent inhibitory effect on replication of Hepatitis C virus; (HCV), represented by the following formula (I) in which R represents a C1-C4 straight or branched alkoxycarbonyl group, heterocycliccarbonyl group or carboxyalkyl group; and pharmaceutically acceptable salts thereof, a preparation method thereof, and an antiviral pharmaceutical composition comprising the compound as an effective ingredient. The 6(4-substituted-anilino)pyrimidine derivatives according to the present invention have an excellent inhibitory effect on replication of Hepatitis C virus (HCV) and thus can be advantageously used as a therapeutic or prophylactic agent of hepatitis C.