(+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulphonyl-amino)pyrimidin-5-yl]-(3R,5S)-dihydroxy-(E)-6-heptenecarboxylic acid zinc salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulphonyl-amino)pyrimidin-5-yl]-(3R,5S)-dihydroxy-(E)-6-heptenecarboxylic acid zinc salt
• 英文别名: (+)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl)-(3R,5S,6E)-dihydroxy-hept-6-enoic acid zinc salt；(3R,5S)-(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid zinc salt；7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-(3R,5S,6E)-dihydroxy-hept-6-enoic acid zinc salt；(+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxy-hept-6(E)-enoate zinc；7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulphonyl-methyl-amino)-pyrimidin-5-yl]-(3R,5S)-dihydroxy-hept-6-enoic acid zinc salt；(+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonylmethylamino)pyrimidin-5-yl]-(3R,5S)dihydroxyhept-6-enoic acid, zinc salt
• 化学式: 2C₂₂H₂₇FN₃O₆S*Zn
• 分子量: 1026.46
• InChiKey: AUPPJPPIQVIVIK-DHMAKVBVSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  143.75
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxy-N,N-dimethylhept-6-enamide 在 zinc(II) sulfate heptahydrate 、 水 作用下， 反应 16.0h， 生成 (+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulphonyl-amino)pyrimidin-5-yl]-(3R,5S)-dihydroxy-(E)-6-heptenecarboxylic acid zinc salt
  参考文献：
  名称：

  [EN] METHOD FOR PREPARING ROSUVASTATIN SALTS
  [FR] PROCÉDÉ DE PRÉPARATION DE SELS DE ROSUVASTATINE

  摘要：

  公开号：

  WO2012073054A3

文献信息

• [EN] PROCESS FOR PREPARATION OF ROSUVASTATIN ZINC SALT<br/>[FR] PROCÉDÉ DE PRÉPARATION DE SEL DE ROSUVASTATINE ZINC
  申请人：EGIS GYOGYSZERGYAR NYILVANOSAN

  公开号：WO2009047577A1

  公开（公告）日：2009-04-16

  The subject of the present invention is an improved process for the preparation of (+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-(3i-,55)-dihydroxy-hept-6-enoic acid zinc salt (2:1), which allows the reproducible manufacture of said compound on industrial scale in high purity. The compound of the Formula (I) can be used for the treatment of diseases related to lipid metabolism.

  本发明的主题是改进的制备方法，用于制备(+)-7-[4-(4-氟苯基)-6-异丙基-2-(甲磺酰甲基氨基)嘧啶-5-基]-(3i-,55)-二羟基庚-6-烯酸锌盐（2：1），该方法允许在高纯度下在工业规模上复制制造该化合物。式（I）化合物可用于治疗与脂质代谢相关的疾病。
• [EN] PROCESS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'INTERMÉDIAIRES PHARMACEUTIQUES
  申请人：EGIS GYOGYSZERGYAR NYILVANOSAN

  公开号：WO2009047576A1

  公开（公告）日：2009-04-16

  The present invention provides an improved process for the preparation of (+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-(3R,5S)- dihydroxy-hept-6-enoic acid and sodium salt thereof. A further subject of the present invention is high purity (+)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-(3R,5S)-dihydroxy-hept-6-enoic acid sodium salt and process for the preparation thereof. The compound of the general Formula (I) and sodium salt thereof are valuable pharmaceutical intermediates during the production of high purity pharmaceutically active ingredients suitable for the regulation of lipid metabolism.

  本发明提供了一种改进的方法，用于制备高纯度的(+)-7-[4-(4-氟苯基)-6-异丙基-2-(甲磺酰甲基氨基)-嘧啶-5-基]-(3R,5S)-二羟基庚-6-烯酸及其钠盐。本发明的另一个主题是高纯度的(+)-7-[4-(4-氟苯基)-6-异丙基-2-(甲磺酰甲基氨基)-嘧啶-5-基]-(3R,5S)-二羟基庚-6-烯酸钠盐及其制备方法。通式(I)化合物及其钠盐是在生产适用于调节脂质代谢的高纯度药物活性成分期间有价值的药物中间体。
• [EN] METHOD FOR THE PREPARATION OF HIGH-PURITY PHARMACEUTICAL INTERMEDIATES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'INTERMÉDIAIRES PHARMACEUTIQUES DE HAUTE PURETÉ
  申请人：EGIS GYOGYSZERGYAR NYILVANOSAN MUKOEDO RESZVENYTARSASAG

  公开号：WO2012073055A1

  公开（公告）日：2012-06-07

  The present invention is related to intermediates useful in the preparation of pharmceutically acceptable salts of (+)-7-[4-(4- fluorophenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)- pyrimidin-5-yl]-(3R,5S)-dihydroxy-hept-6-enoic acid and polymorphs of said intermediates, methods for preparation thereof and use thereof.

  本发明涉及中间体，其在制备(+)-7-[4-(4-氟苯基)-6-异丙基-2-(甲磺酰甲基氨基)嘧啶-5-基]-(3R,5S)-二羟基庚-6-烯酸的药物可接受盐和该中间体的多晶形中有用，以及其制备方法和用途。
• CRYSTALLINE FORM I ROSUVASTATIN ZINC SALT
  申请人：Bartha Feren

  公开号：US20120178729A1

  公开（公告）日：2012-07-12

  The present invention relates to crystalline Form I rosuvastatin zinc (2:1) salt, method of preparation thereof and use thereof as pharmaceutically active ingredient for the treatment of diseases related to lipid metabolism including hyperlipoproteinemia, hypercholesteremia, dyslipidemia and atherosclerosis.

  本发明涉及晶体形式I的罗舒伐他汀锌(2:1)盐，其制备方法及其作为药物活性成分用于治疗与脂质代谢相关的疾病，包括高脂蛋白血症、高胆固醇血症、脂质代谢异常和动脉粥样硬化。
• WO2007/119085
  申请人：——

  公开号：——

  公开（公告）日：——