3-(1,2,4-triazole[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazine-1-yl)methyl)-3-trifluoromethylphenyl)benzamide monomesylate | 2141996-20-3

• 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: 3-(1,2,4-triazole[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazine-1-yl)methyl)-3-trifluoromethylphenyl)benzamide monomesylate
• 英文别名: PF-114 methanesulfonate；methanesulfonic acid;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide
• CAS: 2141996-20-3
• 化学式: CH₄O₃S*C₂₉H₂₇F₃N₆O
• 分子量: 628.675
• InChiKey: CCNAIKOABJPEAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• [EN] NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION<br/>[FR] NOUVELLES FORMES DE SEL CRISTALLIN DU 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDIN-3-YLÉTHYNYL)-4-MÉTHYL-N-(4-((4-MÉTHYLPIPÉRAZIN-1-YL)MÉTHYL)-3-TRIFLUOROMÉTHYLPHÉNYL)BENZAMIDE POUR UNE APPLICATION MÉDICALE
  申请人：LTD LIABILITY COMPANY «FUSION PHARMA»

  公开号：WO2017184032A1

  公开（公告）日：2017-10-26

  The invention relates to the organic chemistry, pharmacology and medicine, and concerns the prevention and treatment of human and animal diseases associated with the disruption of the activity of various kinases, in particular Abl kinase, for example diseases such as leukemia, acute myelogenous leukemia, chronic myelogenous leukemia, acute lymphocytic leukemia, breast cancer, non-small cell lung cancer, gastrointestinal stromal tumors, ovarian cancer, lymphoma, using a new salt form of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide. The salt of this compound with methanesulfonic acid, formula (I), or its hydrate, solvate, as well as polymorphic modifications that have the ability to inhibit the activity of kinases, in particular Abl kinases. The present invention also relates to pharmaceutical compositions comprising a therapeutically effective amount of a salt of the invention, to a method for preparing a crystalline salt of the invention, as well as to a method for treating oncological diseases in a subject.

  本发明涉及有机化学、药理学和医学，涉及预防和治疗与各种激酶活性紊乱相关的人类和动物疾病，特别是Abl激酶，例如白血病、急性髓性白血病、慢性髓性白血病、急性淋巴细胞白血病、乳腺癌、非小细胞肺癌、胃肠间质瘤、卵巢癌、淋巴瘤，使用3-（1,2,4-三唑[4,3-a]吡啶-3-基乙炔基）-4-甲基-N-（4-（（4-甲基哌嗪-1-基）甲基）-3-三氟甲基苯基）苯甲酰胺的新盐形式。该化合物与甲磺酸的盐，公式（I）或其水合物、溶剂化合物以及具有抑制激酶活性，特别是Abl激酶活性的多态修饰形式。本发明还涉及包含本发明盐的治疗有效量的药物组合物，制备本发明晶体盐的方法，以及治疗受试者肿瘤疾病的方法。
• Crystalline salt forms of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide for medical application
  申请人：LIMITED LIABILITY COMPANY <<FUSION PHARMA>>

  公开号：US11225474B2

  公开（公告）日：2022-01-18

  The invention relates to the organic chemistry, pharmacology and medicine, and concerns the prevention and treatment of human and animal diseases associated with the disruption of the activity of various kinases, in particular Abl kinase, for example diseases such as leukemia, acute myelogenous leukemia, chronic myelogenous leukemia, acute lymphocytic leukemia, breast cancer, non-small cell lung cancer, gastrointestinal stromal tumors, ovarian cancer, lymphoma, using a new salt form of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide. The salt of this compound with methanesulfonic acid, or its hydrate, solvate, as well as polymorphic modifications that have the ability to inhibit the activity of kinases, in particular Abl kinases. The present invention also relates to pharmaceutical compositions comprising a therapeutically effective amount of a salt of the invention, to a method for preparing a crystalline salt of the invention, as well as to a method for treating oncological diseases in a subject.

  本发明涉及有机化学、药理学和医学，涉及预防和治疗与各种激酶（特别是 Abl 激酶）活性被破坏有关的人类和动物疾病，例如白血病、急性髓性白血病、慢性髓性白血病、急性淋巴细胞白血病、乳腺癌、非小细胞肺癌、胃肠间质瘤、卵巢癌、淋巴瘤等疾病、使用 3-(1,2,4-三唑并[4,3-a]吡啶-3-乙炔基)-4-甲基-N-(4-((4-甲基哌嗪-1-基)甲基)-3-三氟甲基苯基)苯甲酰胺的新盐形式。该化合物与甲磺酸的盐、 或其水合物、溶解物，以及具有抑制激酶（尤其是 Abl 激酶）活性的多晶型修饰。本发明还涉及包含治疗有效量的本发明盐的药物组合物、制备本发明结晶盐的方法以及治疗受试者肿瘤疾病的方法。
• NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION
  申请人：LIMITED LIABILITY COMPANY <<FUSION PHARMA>>

  公开号：US20200325131A1

  公开（公告）日：2020-10-15

  The invention relates to the organic chemistry, pharmacology and medicine, and concerns the prevention and treatment of human and animal diseases associated with the disruption of the activity of various kinases, in particular Abl kinase, for example diseases such as leukemia, acute myelogenous leukemia, chronic myelogenous leukemia, acute lymphocytic leukemia, breast cancer, non-small cell lung cancer, gastrointestinal stromal tumors, ovarian cancer, lymphoma, using a new salt form of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide. The salt of this compound with methanesulfonic acid, or its hydrate, solvate, as well as polymorphic modifications that have the ability to inhibit the activity of kinases, in particular Abl kinases. The present invention also relates to pharmaceutical compositions comprising a therapeutically effective amount of a salt of the invention, to a method for preparing a crystalline salt of the invention, as well as to a method for treating oncological diseases in a subject.