(S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one hydrochloride
• 英文别名: idelalisib hydrochloride；(S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one xhydrochloride；5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one;hydrochloride
• 化学式: C₂₂H₁₈FN₇O*ClH
• 分子量: 451.891
• InChiKey: FBSYWPBLYSMWTM-RSAXXLAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  99.2
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-氟-3-苯基-2-[(1S)-1-[[9-(四氢-2H-吡喃-2-基)-9H-嘌呤-6-基]氨基]丙基]-4(3H)-喹唑啉酮 在 三乙胺盐酸盐 作用下， 以 乙醇 、 水 为溶剂， 反应 6.5h， 生成 (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one hydrochloride
  参考文献：
  名称：

  US2015/175606

  摘要：

  公开号：

文献信息

• [EN] SALTS OF 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]QUINAZOLIN-4-ONE AND PREPARATION THEREOF<br/>[FR] SELS DE 5-FLUORO-3-PHÉNYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]QUINAZOLIN-4-ONE ET PRÉPARATION DE CES DERNIERS
  申请人：ZENTIVA KS

  公开号：WO2017032349A1

  公开（公告）日：2017-03-02

  The present invention relates to salts of 5-fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6- ylamino)propyl]quinazolin-4-one of Formula I and at least one acid component wherein the acid component is preferably selected from the group consisting of benzenesulphonic acid, methanesulphonic acid, hydrobromic acid, hydrochloric acid, hydroiodic acid, phosphoric acid and sulfuric acid and wherein the salt of Formula I and acid component is presented in a crystalline or an amorphous form. The invention also relates to processes of preparation of salts as well as to their use in pharmaceutical compositions. (I)

  本发明涉及化合物I的盐，化合物I为5-氟-3-苯基-2-[(1S)-1-(9H-嘌呤-6-基氨基)丙基]喹唑啉-4-酮，至少一种酸组分，所述酸组分优选选自苯磺酸、甲磺酸、氢溴酸、盐酸、碘酸、磷酸和硫酸组成的组。化合物I的盐和酸组分以结晶或无定形形式呈现。该发明还涉及盐的制备方法以及它们在药物组合物中的应用。
• [EN] SALTS OF IDELALISIB<br/>[FR] SELS D'IDÉLALISIB
  申请人：RATIOPHARM GMBH

  公开号：WO2016091387A1

  公开（公告）日：2016-06-16

  The present invention relates to salts of idelalisib, polymorphs of these salts, methods for their preparation, and pharmaceutical preparations comprising these salts.

  本发明涉及idelalisib的盐、这些盐的多晶形态、其制备方法以及包含这些盐的制药制剂。
• Polymorphic forms of a hydrochloride salt of (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
  申请人：GILEAD CALISTOGA LLC

  公开号：US10442805B2

  公开（公告）日：2019-10-15

  Polymorphs of a hydrochloride salt of (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, compositions thereof, methods for their preparation, and methods for their use are disclosed. Solvent forms of a hydrochloride salt of (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, compositions thereof, methods for their preparation, and methods for their use are also disclosed.

  本发明公开了(S)-2-(1-(9H-嘌呤-6-基氨基)丙基)-5-氟-3-苯基喹唑啉-4(3H)-酮盐酸盐的多晶型、其组合物、制备方法和使用方法。还公开了(S)-2-(1-(9H-嘌呤-6-基氨基)丙基)-5-氟-3-苯基喹唑啉-4(3H)-酮盐酸盐的溶剂形式、其组合物、制备方法和使用方法。
• POLYMORPHIC FORMS OF A HYDROCHLORIDE SALT OF (S)-2-(1-(9H-PURIN-6-YLAMINO)PROPYL)-5-FLUORO-3-PHENYLQUINAZOLIN-4(3H)-ONE
  申请人：Gilead Calistoga LLC

  公开号：US20150175606A1

  公开（公告）日：2015-06-25

  Polymorphs of a hydrochloride salt of (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, compositions thereof, methods for their preparation, and methods for their use are disclosed. Solvent forms of a hydrochloride salt of (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, compositions thereof, methods for their preparation, and methods for their use are also disclosed.
• US9708327B2
  申请人：——

  公开号：US9708327B2

  公开（公告）日：2017-07-18