Saracatinib difumarate | 893428-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Saracatinib difumarate
• 英文别名: (E)-but-2-enedioic acid;N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
• CAS: 893428-72-3
• 化学式: C35H40ClN5O13
• 分子量: 774.2
• InChiKey: OQXMMAQEMJUIQM-LVEZLNDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  240
• 氢给体数：
  5
• 氢受体数：
  18

文献信息

• Chemical Process
  申请人：Ford James Gair

  公开号：US20090099196A1

  公开（公告）日：2009-04-16

  The present invention relates to chemical processes useful in the manufacture of the compound 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline (the active entity within AZD0530), to intermediates useful in the manufacture of that compound and to processes for the manufacture of those intermediates. The invention also relates to particular crystalline forms of that compound such as a difumarate salt and a trihydrate and to pharmaceutical compositions containing such crystalline forms.

  本发明涉及用于制造化合物4-(6-氯-2,3-亚甲二氧基苯胺基)-7-[2-(4-甲基哌嗪-1-基)乙氧基]-5-四氢吡喃-4-氧基喹唑啉（AZD0530中的活性物质）的化学过程，用于制造该化合物的中间体以及制造这些中间体的过程。本发明还涉及该化合物的特定晶体形式，例如双富马酸盐和三水合物，以及含有这种晶体形式的药物组合物。
• PROCESS FOR THE PREPARATION OF 4-(6-CHLORO-2,3-METHYLENEDIOXYANILINO)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-TETRAHYDROPYRAN-4-YLOXYQUINAZOLINE,THEIR INTERMEDIATES AND CRYSTALLINE SALTS THEREOF
  申请人：AstraZeneca AB

  公开号：EP1871769A2

  公开（公告）日：2008-01-02
• CRYSTALLINE FORMS OF THE COMPOUND 4-(6-CHLORO-2,3-METHYLENEDIOXYANILINO)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-TETRAHYDROPYRAN-4-YLOXYQUINAZOLINE.
  申请人：AstraZeneca AB

  公开号：EP1871769B1

  公开（公告）日：2017-02-22
• US8304417B2
  申请人：——

  公开号：US8304417B2

  公开（公告）日：2012-11-06
• [EN] CHEMICAL PROCESS<br/>[FR] PROCEDE CHIMIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2006064217A2

  公开（公告）日：2006-06-22

  (EN) The present invention relates to chemical processes useful in the manufacture of the compound 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]- 5-tetrahydropyran-4-yloxyquinazoline (the active entity within AZD0530), to intermediates useful in the manufacture of that compound and to processes for the manufacture of those intermediates. The invention also relates to particular crystalline forms of that compound such as a difumarate salt and a trihydrate and to pharmaceutical compositions containing such crystalline forms.(FR) Cette invention concerne des procédés chimiques servant à fabriquer le composé 4-(6-chloro-2,3-méthylènedioxyanilino)-7-[2-(4-méthylpipérazin-1-yl)éthoxy]-5-tétrahydropyran-4-yloxyquinazoline (le principe actif de AZD0530), des intermédiaires utiles dans la fabrication de ce composé et des procédés de fabrication de ces intermédiaires. Cette invention concerne également des formes cristallines particulières de ce composé, telles qu'un sel difumarate et un trihydrate, et des compositions pharmaceutiques contenant ces formes cristallines.