4-(2-{3-[3-(3-cyanophenyl)-6-oxo-6H-pyridazin-1-ylmethyl]phenyl}pyrimidin-5-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester | 1103506-80-4

• 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: 4-(2-{3-[3-(3-cyanophenyl)-6-oxo-6H-pyridazin-1-ylmethyl]phenyl}pyrimidin-5-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-(((2-(3-((3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)methyl)phenyl)pyrimidin-5-yl)oxy)methyl)piperidine-1-carboxylate；4-(2-{3-[3-(3-Cyano-phenyl)-6-oxo-6H-pyridazin-1-ylmethyl]-phenyl}-pyrimidin-5-yloxymethyl)-piperidine-1-carbonic acid tert-butyl ester；Tert-butyl 4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidine-1-carboxylate
• CAS: 1103506-80-4
• 化学式: C₃₃H₃₄N₆O₄
• 分子量: 578.671
• InChiKey: NRFMVDUBVAQOCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(2-{3-[3-(3-cyanophenyl)-6-oxo-6H-pyridazin-1-ylmethyl]phenyl}pyrimidin-5-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester 在 劳森试剂 、 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  CN116768868

  摘要：

  公开号：
• 作为产物：
  描述：

  N-Boc-4-哌啶甲醇 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四溴化碳 、 偶氮二甲酸二异丙酯 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.67h， 生成 4-(2-{3-[3-(3-cyanophenyl)-6-oxo-6H-pyridazin-1-ylmethyl]phenyl}pyrimidin-5-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  CN116768868

  摘要：

  公开号：

文献信息

• [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。
• [DE] PYRIDAZINONDERIVATE<br/>[EN] PYRIDAZINONE DERIVATES<br/>[FR] DÉRIVÉS DE PYRIDAZINONE
  申请人：MERCK PATENT GMBH

  公开号：WO2009006959A1

  公开（公告）日：2009-01-15

  Verbindungen der Formel (I) worin R1, R2, R3, R4, R4' die in Anspruch (1) angegebenen Bedeutungen haben, sind Inhibitoren der Tyrosinkinasen, insbesondere der Met-Kinase und können u.a. zur Behandlung von Tumoren eingesetzt werden.

  公式（I）中的R1，R2，R3，R4，R4'的含义如权利要求书（1）中所述，是酪氨酸激酶抑制剂，特别是Met激酶抑制剂，可用于治疗肿瘤等疾病。
• 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。
• PYRIDAZINONE DERIVATIVES
  申请人：Dorsch Dieter

  公开号：US20100234354A1

  公开（公告）日：2010-09-16

  Compounds of the formula (I), in which R 1 , R 2 , R, R 4 , R 4′ have the meanings indicated in Claim 1, are inhibitors of tyrosine kinases, in particular Met kinase, and can be employed, inter alia, for the treatment of tumours.

  公式（I）的化合物，其中R1，R2，R3，R4，R4'具有权利要求书1中所示的含义，是酪氨酸激酶的抑制剂，特别是Met激酶，并可用于肿瘤的治疗等方面。
• 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。