trimetrexate hydrochloride | 251301-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: trimetrexate hydrochloride
• 英文别名: 5-Methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)quinazoline-2,4-diamine hydrochloride；5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;hydrochloride
• CAS: 251301-18-5
• 化学式: C₁₉H₂₃N₅O₃*ClH
• 分子量: 405.884
• InChiKey: OYLADTNVKFEXEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Novel compositions comprising trimetrexate
  申请人：MedImmune Oncology, Inc.

  公开号：US20010031755A1

  公开（公告）日：2001-10-18

  This invention is directed to the novel composition of matter trimetrexate ascorbate, to compositions comprising trimetrexate ascorbate, and to compositions comprising trimetrexate and ascorbic acid. These compositions are useful in the treatment of diseases in mammals such as, but not limited to, cancer, bacterial and protozoal infections, malaria, psoriasis, and rheumatoid arthritis. The invention is further related to methods of stabilizing trimetrexate to degradation caused by heat, light, oxygen, or water.

  本发明涉及一种新型物质组成三甲嘧啶抗坏血酸，以及包含三甲嘧啶抗坏血酸和包含三甲嘧啶和抗坏血酸的组合物。这些组合物在哺乳动物中的疾病治疗中有用，例如但不限于癌症，细菌和原虫感染，疟疾，牛皮癣和类风湿性关节炎。本发明还涉及将三甲嘧啶稳定于热，光，氧或水引起的降解的方法。
• Novel compositions comprising trimetrexate and methods of their synthesis and use
  申请人：MedImmune Oncology, Inc.

  公开号：US20030216418A1

  公开（公告）日：2003-11-20

  This invention is directed to the novel composition of matter trimetrexate ascorbate, to compositions comprising trimetrexate ascorbate, and to compositions comprising trimetrexate and ascorbic acid. These compositions are useful in the treatment of diseases in mammals such as, but not limited to, cancer, bacterial and protozoal infections, malaria, psoriasis, and rheumatoid arthritis. The invention is further related to methods of stabilizing trimetrexate to degradation caused by heat, light, oxygen, or water.

  本发明涉及一种新型物质组合物三甲氧四氢葉酸抗坏血酸，以及包含三甲氧四氢葉酸抗坏血酸和包含三甲氧四氢葉酸和抗坏血酸酸的组合物。这些组合物在哺乳动物中治疗疾病，例如但不限于癌症、细菌和原虫感染、疟疾、牛皮癣和类风湿性关节炎。本发明还涉及稳定三甲氧四氢葉酸对热、光、氧气或水引起的降解的方法。
• Thermally stable trimetrexates and processes for producing the same
  申请人：MedImmune Oncology, Inc.

  公开号：US20030199694A1

  公开（公告）日：2003-10-23

  The present invention provides for thermally stable forms of 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl] quinazoline, or trimetrexate. A crystalline 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl] quinazoline monohydrate, or trimetrexate monohydrate, belonging to the space group Poverscore (1)}(#2) and having a triclinic cell with dimensions of about a=7.699 Å, b=9.606 Å and c=13.012 Å is disclosed. A novel Schiff base compound, 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyphenylimino)-methinyl]quinazoline, is also disclosed. The present invention further provides novel methods of producing stable trimetrexate free base compounds, including crystalline trimetrexate monohydrate. The crystalline monohydrate form provides increased stability over the anhydrous form.

  本发明提供了2,4-二氨基-5-甲基-6-[(3,4,5-三甲氧基苯胺基)甲基]喹唑啉或三甲嘧啶的热稳定形式。其中揭示了属于空间群Poverscore (1)}(#2)、具有三斜晶胞尺寸为a≈7.699Å、b≈9.606Å和c≈13.012Å的2,4-二氨基-5-甲基-6-[(3,4,5-三甲氧基苯胺基)甲基]喹唑啉单水合物或三甲嘧啶单水合物的晶体。此外，本发明还揭示了一种新的席夫碱化合物，即2,4-二氨基-5-甲基-6-[(3,4,5-三甲氧基苯亚胺基)-甲基炔基]喹唑啉。本发明还提供了新的稳定三甲嘧啶游离基化合物的制备方法，包括晶体三甲嘧啶单水合物。晶体单水合物形式比无水形式具有更高的稳定性。
• Tremextrexate derivatives and pharmaceutical compositions comprising the same
  申请人：MedImmune Oncology, Inc.

  公开号：US20020107393A1

  公开（公告）日：2002-08-08

  The present invention provides for thermally stable forms of 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl] quinazoline, or trimetrexate. A crystalline 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl] quinazoline monohydrate, or trimetrexate monohydrate, belonging to the space group Poverscore (1)} (#2) and having a triclinic cell with dimensions of about a=7.699 Å, b=9.606 Å and c=13.012 Å is disclosed. A novel Schiff base compound, 2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyphenylimino)-methinyl]quinazoline, is also disclosed. The present invention further provides novel methods of producing stable trimetrexate free base compounds, including crystalline trimetrexate monohydrate. The crystalline monohydrate form provides increased stability over the anhydrous form.

  本发明提供了2,4-二氨基-5-甲基-6-[(3,4,5-三甲氧基苯胺基)甲基]喹嗪或三甲嘧啶的热稳定形式。本发明揭示了属于空间群P1（#2）的三斜晶胞，尺寸约为a=7.699Å，b=9.606Å和c=13.012Å的2,4-二氨基-5-甲基-6-[(3,4,5-三甲氧基苯胺基)甲基]喹嗪单水合物或三甲嘧啶单水合物。本发明还揭示了一种新的席夫碱化合物，2,4-二氨基-5-甲基-6-[(3,4,5-三甲氧基苯亚胺基)-甲烯基]喹嗪。本发明还提供了生产稳定的三甲嘧啶游离碱化合物的新方法，包括结晶三甲嘧啶单水合物。晶体单水合物形式提供了比无水形式更高的稳定性。
• THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME
  申请人：U.S. BIOSCIENCE, INC.

  公开号：EP1080079A1

  公开（公告）日：2001-03-07