培美曲塞二钾 | 1438895-00-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 培美曲塞二钾
• 英文名称: Pemetrexed dipotassium
• 英文别名: dipotassium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
• CAS: 1438895-00-1
• 化学式: C20H19K2N5O6
• 分子量: 503.6
• InChiKey: YQABXEMTTPRASZ-GXKRWWSZSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.0
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  193
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• [EN] PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES<br/>[FR] PROCÉDÉ POUR PRÉPARER DU DIPOTASSIUM DE PÉMETREXED ET SES HYDRATES
  申请人：SHILPA MEDICARE LTD

  公开号：WO2014060953A1

  公开（公告）日：2014-04-24

  The present invention relates to Di potassium (S)-2-(4-(2-(2-amino-4-oxo4,7,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido) pentanedioate (I) and its hydrates useful as active pharmaceutical ingredient in pharmaceutical compositions for the treatment of cancer. The present invention also relates to a process for preparation thereof.

  本发明涉及二钾(S)-2-(4-(2-(2-氨基-4-氧代4,7,7-二氢-3H-吡咯并[2,3-d]嘧啶-5-基)乙基)苯甲酰胺)戊二酸盐(I)及其水合物，可作为治疗癌症的药物组合物中的活性药物成分。本发明还涉及其制备方法。
• EP2909208A1
  申请人：——

  公开号：EP2909208A1

  公开（公告）日：2015-08-26
• PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES
  申请人：SHILPA MEDICARE LIMITED

  公开号：US20150259348A1

  公开（公告）日：2015-09-17

  The present invention provides Di potassium (S)-2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate (I) and its hydrates useful as active pharmaceutical ingredient in pharmaceutical compositions for the treatment of cancer. The present invention also provides process for preparation thereof.
• [EN] CRYSTALLINE PEMETREXED DIPOTASSIUM PROCESS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DIPOTASSIUM DE PEMETREXED CRISTALLIN
  申请人：SHILPA MEDICARE LTD

  公开号：WO2014060959A1

  公开（公告）日：2014-04-24

  The present invention provides crystalline pemetrexed dipotassium hemiheptahydrate (I) - characterized by X-ray powder diffraction pattern comprising at least 5 characteristic 29° peaks selected from the XRPD peak set of 5.00, 13.70, 14.90, 15.20, 16.90, 20.00, 20.50, 21.40, 23.6, 24.2, 25.10, 27.5 and 28.30 ± 0.20 29°, DSC isotherm comprising the endothermic peaks ranging between 65 to 85°C (Peak -1), 86 to 105°C (Peak -2), 120 to 132°C (Peak -3), 250 to 265°C (Peak -4), and IR absorption characteristic peaks at approximately 2936 cm-1, 2857 cm-1, 1396 cm-1, 1184 cm-1, 1158 cm-1, 1092 cm-1, 1076 cm-1, 819 cm-1 and 788 cm-1 useful as active pharmaceutical ingredient in pharmaceutical compositions for the treatment of cancer. The invention also provides process for preparing pemetrexed dipotassium hemiheptahydrate (I) and its pharmaceutical composition thereof.