3-(1-{3-[5-(1-methylpiperidin-4-ylmethoxy)-pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)benzonitrile hydrochloride | 1103508-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(1-{3-[5-(1-methylpiperidin-4-ylmethoxy)-pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)benzonitrile hydrochloride
• 英文别名: Tepotinib hydrochloride anhydrous；3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile;hydrochloride
• CAS: 1103508-80-0
• 化学式: C₂₉H₂₈N₆O₂*(x)ClH
• 分子量: 529.0
• InChiKey: YHHHGHDGBUUWIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  94.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(1-{3-[5-(1-methylpiperidin-4-ylmethoxy)-pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)benzonitrile hydrochloride 、 以 水 为溶剂， 反应 504.0h， 生成 盐酸特泊替尼
  参考文献：
  名称：

  Polymorphic forms of 3-(1-{3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-hydrochloride salt and processes of manufacturing thereof

  摘要：

  本发明涉及3-(1-{3-[5-(1-甲基哌啶-4-基甲氧基)嘧啶-2-基]-苄基}-6-氧代-1,6-二氢吡啶-3-基)-苯甲腈盐酸盐溶剂和其晶体修改物。本发明还涉及制造这些晶体修改物的过程，以及它们在治疗和/或预防生理和/或病理条件方面的使用，这些条件是由于激酶信号传导的抑制、调节和/或调制所引起、介导和/或传播的，特别是通过抑制酪氨酸激酶，例如癌症等病理条件。

  公开号：

  US09289427B2
• 作为产物：
  描述：

  EMD-1214063; 3-[1,6-二氢-1-[[3-[5-[(1-甲基-4-哌啶基)甲氧基]-2-嘧啶基]苯基]甲基]-6-氧代-3-哒嗪基]苯腈 在 盐酸 作用下， 以 水 、 丙酮 为溶剂， 生成 3-(1-{3-[5-(1-methylpiperidin-4-ylmethoxy)-pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)benzonitrile hydrochloride
  参考文献：
  名称：

  Pyrimidinyl Pyridazinone Derivatives

  摘要：

  根据权利要求1中选择的化合物是酪氨酸激酶抑制剂，特别是Met激酶的抑制剂，可用于治疗肿瘤等疾病。

  公开号：

  US20100197690A1

文献信息

• Pyrimidinyl Pyridazinone Derivatives
  申请人：Schadt Oliver

  公开号：US20100197690A1

  公开（公告）日：2010-08-05

  Compounds selected from the group according to Claim 1 are inhibitors of tyrosine kinases, in particular of Met kinase, and can be employed, inter alia, for the treatment of tumours.

  根据权利要求1中选择的化合物是酪氨酸激酶抑制剂，特别是Met激酶的抑制剂，可用于治疗肿瘤等疾病。
• [EN] NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF<br/>[FR] NOUVELLES FORMES POLYMORPHES DE SEL CHLORHYDRATE DE 3-(1-{3-[5-(1-MÉTHYL-PIPÉRIDIN-4YLMÉTHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE ET LEURS PROCÉDÉS DE FABRICATION
  申请人：MERCK PATENT GMBH

  公开号：WO2010078897A1

  公开（公告）日：2010-07-15

  The present invention relates to hydrochloride solvates of 3-(1-3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile and crystalline modifications thereof. The present invention further relates to processes of manufacturing these crystalline modifications as well as their use in the treatment and/or prophylaxis of physiological and/or pathophysiological conditions, which are caused, mediated and/or propagated by the inhibition, regulation and/or modulation of signal transduction of kinases, in particular by the inhibition of tyrosine kinases, e.g. pathophysiological conditions such as cancer.

  本发明涉及3-(1-3-[5-(1-甲基哌啶-4-基甲氧基)-嘧啶-2-基]-苄基}-6-氧代-1,6-二氢吡啶-3-基)-苯甲腈的盐酸溶剂化合物及其结晶形态。本发明还涉及制备这些结晶形态的方法，以及它们在治疗和/或预防生理和/或病理条件中的用途，这些条件是由激酶信号传导的抑制、调节和/或调控引起、介导和/或传播的，特别是通过酪氨酸激酶的抑制，例如癌症等病理条件。
• Novel Polymorphic Forms of 3-(1--6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile Hydrochloride Salt and Processes of Manufacturing Thereof
  申请人：Becker Axel

  公开号：US20110269767A1

  公开（公告）日：2011-11-03

  The present invention relates to 3-(1-3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile hydrochloride solvates and crystalline modifications thereof. The present invention further relates to processes of manufacturing these crystalline modifications as well as their use in the treatment and/or prophylaxis of physiological and/or pathophysiological conditions, which are caused, mediated and/or propagated by the inhibition, regulation and/or modulation of signal transduction of kinases, in particular by the inhibition of tyrosine kinases, e.g. pathophysiological conditions such as cancer.

  本发明涉及3-(1-3-[5-(1-甲基哌啶-4-基甲氧基)嘧啶-2-基]-苯甲基}-6-氧代-1,6-二氢-吡啶并[3,4-d]嘧啶-3-基)-苯甲腈盐酸盐溶剂和其晶体修饰。本发明还涉及制造这些晶体修饰的过程以及它们在治疗和/或预防由激酶信号转导的抑制、调节和/或调控引起、介导和/或传播的生理和/或病理条件中的使用，特别是通过抑制酪氨酸激酶而引起的病理条件，例如癌症。
• NOVEL POLYMORPHIC FORMS OF 3-(1--6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF
  申请人：Merck Patent GmbH

  公开号：US20150148351A1

  公开（公告）日：2015-05-28

  The present invention relates to 3-(1-3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile hydrochloride solvates and crystalline modifications thereof. The present invention further relates to processes of manufacturing these crystalline modifications as well as their use in the treatment and/or prophylaxis of physiological and/or pathophysiological conditions, which are caused, mediated and/or propagated by the inhibition, regulation and/or modulation of signal transduction of kinases, in particular by the inhibition of tyrosine kinases, e.g. pathophysiological conditions such as cancer.

  本发明涉及3-(1-3-[5-(1-甲基哌啶-4-基甲氧基)嘧啶-2-基]-苄基}-6-氧代-1,6-二氢吡啶-3-基)-苯甲腈盐酸盐溶剂和其晶体修饰。本发明还涉及制造这些晶体修饰的过程，以及它们在治疗和/或预防生理和/或病理条件方面的使用，这些条件是由于激酶信号转导的抑制、调节和/或调节引起、介导和/或传播的，特别是通过抑制酪氨酸激酶的抑制，例如病理条件如癌症。
• Polymorphic forms of 3-(1-{3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-hydrochloride salt and processes of manufacturing thereof
  申请人：Merck Patent GmbH

  公开号：US09289427B2

  公开（公告）日：2016-03-22

  The present invention relates to 3-(1-3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile hydrochloride solvates and crystalline modifications thereof. The present invention further relates to processes of manufacturing these crystalline modifications as well as their use in the treatment and/or prophylaxis of physiological and/or pathophysiological conditions, which are caused, mediated and/or propagated by the inhibition, regulation and/or modulation of signal transduction of kinases, in particular by the inhibition of tyrosine kinases, e.g. pathophysiological conditions such as cancer.

  本发明涉及3-(1-3-[5-(1-甲基哌啶-4-基甲氧基)嘧啶-2-基]-苄基}-6-氧代-1,6-二氢吡啶-3-基)-苯甲腈盐酸盐溶剂和其晶体修改物。本发明还涉及制造这些晶体修改物的过程，以及它们在治疗和/或预防生理和/或病理条件方面的使用，这些条件是由于激酶信号传导的抑制、调节和/或调制所引起、介导和/或传播的，特别是通过抑制酪氨酸激酶，例如癌症等病理条件。