Isopropyl 4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: Isopropyl 4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazine-1-carboxylate
• 英文别名: propan-2-yl 4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
• 化学式: C₂₃H₃₂N₆O₃S
• 分子量: 472.6
• InChiKey: YLPLGGNPWPEHPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  7
• 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：
  9

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.