Cangrelor; Kengreal

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: Cangrelor; Kengreal
• 英文别名: [dichloro-[[[3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
• 化学式: C₁₇H₂₅Cl₂F₃N₅O₁₂P₃S₂
• 分子量: 776.4
• InChiKey: PAEBIVWUMLRPSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  307
• 氢给体数：
  7
• 氢受体数：
  21

文献信息

• Efficient method for the preparation of Cangrelor
  申请人：OLON S.P.A.

  公开号：US11279724B2

  公开（公告）日：2022-03-22

  Disclosed is a process for the preparation of Cangrelor in salt form by preparation and subsequent hydrolysis of an intermediate of formula (IV): The process is characterized by the high yield and purity of the product, and can be used industrially.

  本发明公开了一种通过制备并随后水解式（IV）的中间体来制备盐形式的 Cangrelor 的工艺： 该工艺的特点是产量高、产品纯度高，可用于工业生产。
• EFFICIENT METHOD FOR THE PREPARATION OF CANGRELOR
  申请人：OLON S.P.A.

  公开号：US20210179654A1

  公开（公告）日：2021-06-17

  The present invention relates to a process for the preparation of Cangrelor in salt form of formula (V) by preparation and subsequent hydrolysis of an intermediate of formula (IV). The process is characterised by the high yield and purity of the product, and can be used industrially.
• METHOD FOR PREPARING CANGRELOR TETRASODIUM SALT
  申请人：Yabao Pharmaceutical Group Co., Ltd.

  公开号：US20210371448A1

  公开（公告）日：2021-12-02

  The present application relates to a method for prepare a Cangrelor tetrasodium salt, comprising: using N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)sulfonyl]adenosine as a raw material to undergo two steps of reaction to obtain a reaction solution containing the Cangrelor tetrasodium salt; separating and purifying once by C18 silica gel column chromatography so as to obtain a Cangrelor tetrasodium salt pure product. The present application has the advantages of short synthesis route, mild reaction conditions, sufficient reaction, simple operation, high product yield, high purity, and environmental friendliness, and is suitable for large-scale preparation.