4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide monophosphate salt | 1384267-09-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide monophosphate salt
• 英文别名: imatinib monophosphate salt；imatinib phosphate；4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;phosphoric acid
• CAS: 1384267-09-7
• 化学式: C₂₉H₃₁N₇O*H₃O₄P
• 分子量: 591.607
• InChiKey: MMDWIJLAJJQLFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  164
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  伊马替尼 在 磷酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide monophosphate salt
  参考文献：
  名称：

  [EN] NOVEL SALTS OF IMATINIB
  [FR] NOUVEAUX SELS D'IMATINIB

  摘要：

  本发明揭示了公式（II）的伊马替尼的药用可接受盐，其中S代表从草酸、对甲苯磺酸、萘磺酸、苯磺酸、硝酸、磷酸、乙酸、马来酸、富马酸、赖氨酸、赖氨酸HCl、精氨酸等氨基酸中选择的酸，与伊马替尼形成盐。

  公开号：

  WO2012090221A1

文献信息

• AEROSOL TYROSINE KINASE INHIBITOR COMPOUNDS AND USES THEREOF
  申请人：WINDWARD PHARMA, INC.

  公开号：US20150044288A1

  公开（公告）日：2015-02-12

  Disclosed herein are formulations of imatinib or a phenylaminopyrimidine derivative compound for aerosolization and use of such formulations for inhaled aerosol administration of imatinib or a phenylaminopyrimidine derivative compound for the prevention or treatment of various fibrotic, carcinogenic, vascular and viral infectious diseases, including diseases associated with the lung, heart, kidney, liver, eye, central nervous system and surgical sites. In some embodiments, formulations and delivery options described herein allow for efficacious local delivery of imatinib or a phenylaminopyrimidine derivative compound or salt thereof. Compositions include all formulations, kits, and device combinations described herein. Methods include inhalation procedures, indications and manufacturing processes for production and use of the compositions described. Also included are methods for identifying compounds and indications that may benefit by reformulation and inhalation administration.

  本文公开了伊马替尼或苯基氨基嘧啶衍生物化合物的喷雾制剂，并使用这些制剂进行吸入式喷雾给药，用于预防或治疗各种纤维化、致癌、血管和病毒性感染性疾病，包括与肺、心脏、肾脏、肝脏、眼、中枢神经系统和手术部位相关的疾病。在某些实施例中，本文所描述的制剂和给药选项允许对伊马替尼或其苯基氨基嘧啶衍生物化合物或其盐进行有效的局部给药。组合物包括本文所述的所有制剂、套件和设备组合。方法包括吸入程序、适应症和制造过程，用于生产和使用所述组合物。还包括识别可能通过重新制剂和吸入给药获益的化合物和适应症的方法。
• LIPOSOMAL DRUG ENCAPSULATION
  申请人：The Regents of the University of California

  公开号：EP2787977A1

  公开（公告）日：2014-10-15
• INHALED IMATINIB FOR TREATMENT OF PULMONARY ARTERIAL HYPERTENSION (PAH)
  申请人：AVALYN PHARMA INC.

  公开号：US20210093569A1

  公开（公告）日：2021-04-01

  Disclosed herein are formulations of imatinib or a phenylaminopyrimidine derivative compound for aerosolization and use of such formulations for inhaled aerosol administration of imatinib or a phenylaminopyrimidine derivative compound for the prevention or treatment of various fibrotic, carcinogenic, vascular and viral infectious diseases, including diseases associated with the lung, heart, kidney, liver, eye, central nervous system and surgical sites. In some embodiments, formulations and delivery options described herein allow for efficacious local delivery of imatinib or a phenylaminopyrimidine derivative compound or salt thereof. Compositions include all formulations, kits, and device combinations described herein. Methods include inhalation procedures, indications and manufacturing processes for production and use of the compositions described. Also included are methods for identifying compounds and indications that may benefit by reformulation and inhalation administration.
• [EN] LIPOSOMAL DRUG ENCAPSULATION<br/>[FR] ENCAPSULATION LIPOSOMALE DE MÉDICAMENTS
  申请人：UNIV CALIFORNIA

  公开号：WO2013086526A1

  公开（公告）日：2013-06-13

  Provided herein are novel methods of making liposomally encapsulated drugs using reverse pH gradients and optimizing internal buffer compositions. Further provided herein are liposome compositions including an active pharmaceutical ingredient and uses thereof to treat a variety of diseases (e.g. cancer, inflammatory, neurological and cardiovascular diseases).
• [EN] AEROSOL TYROSINE KINASE INHIBITOR COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS INHIBITEURS DE TYROSINE KINASE EN AÉROSOL ET LEURS UTILISATIONS
  申请人：WINDWARD PHARMA INC

  公开号：WO2015017728A1

  公开（公告）日：2015-02-05

  Disclosed herein are formulations of imatinib or a phenylaminopyrimidine derivative compound for aerosolization and use of such formulations for inhaled aerosol administration of imatinib or a phenylaminopyrimidine derivative compound for the prevention or treatment of various fibrotic, carcinogenic, vascular and viral infectious diseases, including diseases associated with the lung, heart, kidney, liver, eye, central nervous system and surgical sites. In some embodiments, formulations and delivery options described herein allow for efficacious local delivery of imatinib or a phenylaminopyrimidine derivative compound or salt thereof.