(S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine monoacetate | 2288850-57-5

• 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: (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine monoacetate
• 英文别名: sovleplenib acetate；acetic acid;7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
• CAS: 2288850-57-5
• 化学式: C₂H₄O₂*C₂₄H₃₀N₆O₃S
• 分子量: 542.659
• InChiKey: QBCIPPQWMOBZQB-BDQAORGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  146.64
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine 、 溶剂黄146 以 乙醇 、 水 为溶剂， 反应 120.0h， 以71.52 mg的产率得到(S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine monoacetate
  参考文献：
  名称：

  [EN] THE SALTS OF A COMPOUND AND THE CRYSTALLINE FORMS THEREOF
  [FR] SELS ET FORMES CRISTALLINES D'UN COMPOSÉ

  摘要：

  本发明属于制药领域，提供了化合物（S）-7-（4-（1-（甲基磺酰基）哌啶-4-基）苯基）-N-（吗啡啶-2-基甲基）吡啶[3,4-b]吡嗪-5-胺的药物可接受盐及其晶体形式、溶剂化物和晶体形式、包含其的制药组合物以及制备它们和使用它们的方法。

  公开号：

  WO2019037737A1

文献信息

• THE SALTS OF A COMPOUND AND THE CRYSTALLINE FORMS THEREOF
  申请人：HUTCHISON MEDIPHARMA LIMITED

  公开号：US20210047318A1

  公开（公告）日：2021-02-18

  The present invention belongs to the pharmaceutical field, and provides the pharmaceutically acceptable salts of the compound (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine and the crystalline forms thereof, the solvates and the crystalline forms thereof, the pharmaceutical compositions comprising the same as well as the methods of preparing the same and the use thereof.
• SALTS OF A COMPOUND AND THE CRYSTALLINE FORMS THEREOF
  申请人：HUTCHISON MEDIPHARMA LIMITED

  公开号：US20220389012A1

  公开（公告）日：2022-12-08

  The present invention belongs to the pharmaceutical field, and provides the pharmaceutically acceptable salts of the compound (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine and the crystalline forms thereof, the solvates and the crystalline forms thereof, the pharmaceutical compositions comprising the same as well as the methods of preparing the same and the use thereof.