1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide;dihydrate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide;dihydrate
• 英文别名: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide;dihydrate
• 化学式: C25H29N5O6
• 分子量: 495.5
• InChiKey: XDTAXSXRNBJBHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• KEY INTERMEDIATES AND IMPURITIES OF THE SYNTHESIS OF APIXABAN: APIXABAN GLYCOL ESTERS
  申请人：F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A

  公开号：US20160326171A1

  公开（公告）日：2016-11-10

  Object of the present invention is an improved process for the preparation of Apixaban, through new intermediates which undergo to a faster amidation reaction. Impurities of Apixaban are also identified and quantified.

  本发明的对象是通过新的中间体进行更快的酰胺化反应，从而改进阿匹沙班的制备过程。同时还鉴定和定量阿匹沙班的杂质。
• [EN] KEY INTERMEDIATES AND IMPURITIES OF THE SYNTHESIS OF APIXABAN: APIXABAN GLYCOL ESTERS<br/>[FR] IMPURETÉS ET INTERMÉDIAIRES CLÉS DE LA SYNTHÈSE D'APIXABAN : ESTERS DE GLYCOL D'APIXABAN
  申请人：ITALIANA SINT SPA

  公开号：WO2016058711A1

  公开（公告）日：2016-04-21

  Object of the present invention is an improved process for the preparation of Apixaban, through new intermediates which undergo to a faster amidation reaction. Impurities of Apixaban are also identified and quantified.

  本发明的目标是通过新的中间体进行改进的Apixaban制备过程，这些中间体经历了更快的酰胺化反应。同时也鉴定并定量了Apixaban的杂质。
• Key intermediates and impurities of the synthesis of Apixaban: Apixaban glycol esters
  申请人：F.I.S.—FABBRICA ITALIANA SINTETICI S.P.A.

  公开号：US10040793B2

  公开（公告）日：2018-08-07

  Object of the present invention is an improved process for the preparation of Apixaban, through new intermediates which undergo to a faster amidation reaction. Impurities of Apixaban are also identified and quantified.

  本发明的目的是通过更快发生酰胺化反应的新中间体，改进阿哌沙班的制备工艺。本发明还对阿哌沙班的杂质进行了鉴定和定量。
• PROCESS FOR PREPARING APIXABAN FORM N-1
  申请人：F.I.S.- Fabbrica Italiana Sintetici S.p.A.

  公开号：EP3098221B1

  公开（公告）日：2017-12-06
• Apixaban glycol esters as key intermediates and impurities of the synthesis of Apixaban
  申请人：F.I.S.- Fabbrica Italiana Sintetici S.p.A.

  公开号：EP3009435B1

  公开（公告）日：2016-08-17