1-[6-amino-9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 1-[6-amino-9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
• 化学式: C₁₅H₁₈N₈O₅
• 分子量: 390.35
• InChiKey: LZPZPHGJDAGEJZ-DXPNZXDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  187
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• Solid-state forms of Regadenoson, their use and preparation
  申请人：JOHNSON MATTHEY PUBLIC LIMITED COMPANY

  公开号：US11535644B2

  公开（公告）日：2022-12-27

  The invention relates to a crystalline methanol or dimethyl sulfoxide solvated form of regadenoson and an anhydrous polymorph of regadenoson. The invention is also directed to the preparation of the methanol or dimethyl sulfoxide solvated and anhydrous solid-state forms of regadenoson. In particular, the invention relates to the preparation of the anhydrous polymorph of regadenoson in a stable form from the dimethyl sulfoxide solvated form of regadenoson, which preparation is purifiable and scalable.

  本发明涉及雷公藤多苷的甲醇或二甲亚砜溶解结晶形式和雷公藤多苷的无水多晶形式。本发明还涉及雷公藤多苷的甲醇或二甲亚砜溶液和无水固态形式的制备。特别是，本发明涉及从雷公藤多苷的二甲基亚砜溶液形式制备稳定形式的雷公藤多苷的无水多晶型，该制备方法是可纯化和可扩展的。
• SOLID-STATE FORMS OF REGADENOSON, THEIR USE AND PREPARATION
  申请人：JOHNSON MATTHEY PUBLIC LIMITED COMPANY

  公开号：US20210009626A1

  公开（公告）日：2021-01-14

  The invention relates to a crystalline methanol or dimethyl sulfoxide solvated form of regadenoson and an anhydrous polymorph of regadenoson. The invention is also directed to the preparation of the methanol or dimethyl sulfoxide solvated and anhydrous solid-state forms of regadenoson. In particular, the invention relates to the preparation of the anhydrous polymorph of regadenoson in a stable form from the dimethyl sulfoxide solvated form of regadenoson, which preparation is purifiable and scalable.
• US9771390B2
  申请人：——

  公开号：US9771390B2

  公开（公告）日：2017-09-26