4-[2-(3-methoxycarbonylphenyl)pyrimidin-5-yloxymethyl]piperidine-1-carboxylic acid tert-butyl ester | 1100598-47-7

• 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-[2-(3-methoxycarbonylphenyl)pyrimidin-5-yloxymethyl]piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: 4-[2-(3-methoxycarbonyl-phenyl)-pyrimidin-5-yloxymethyl]-piperidine-1-carbonic acid tert-butylester；tert-butyl 4-[2-(3-methoxycarbonylphenyl)pyrimidin-5-yloxymethyl]piperidine-1-carboxylate；tert-Butyl 4-(((2-(3-(methoxycarbonyl)phenyl)pyrimidin-5-yl)oxy)methyl)piperidine-1-carboxylate；tert-butyl 4-[[2-(3-methoxycarbonylphenyl)pyrimidin-5-yl]oxymethyl]piperidine-1-carboxylate
• CAS: 1100598-47-7
• 化学式: C₂₃H₂₉N₃O₅
• 分子量: 427.5
• InChiKey: CZWMSXSKQNGTSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  90.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[2-(3-methoxycarbonylphenyl)pyrimidin-5-yloxymethyl]piperidine-1-carboxylic acid tert-butyl ester 生成 (3-(5-((1-甲基哌啶-4-基)甲氧基)嘧啶-2-基)苯基)甲醇
  参考文献：
  名称：

  PYRIMIDINYL PYRIDAZINONE DERIVATIVES

  摘要：

  根据权利要求1所述的组合物被选择为酪氨酸激酶的抑制剂，特别是Met激酶的抑制剂，并可用于治疗肿瘤等疾病。

  公开号：

  US20150133452A1
• 作为产物：
  描述：

  3-(5-羟基嘧啶-2-基)苯甲酸甲酯 、 N-Boc-4-哌啶甲醇 生成 4-[2-(3-methoxycarbonylphenyl)pyrimidin-5-yloxymethyl]piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  PYRIMIDINYL PYRIDAZINONE DERIVATIVES

  摘要：

  根据权利要求1所述的组合物被选择为酪氨酸激酶的抑制剂，特别是Met激酶的抑制剂，并可用于治疗肿瘤等疾病。

  公开号：

  US20150133452A1

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。
• PYRIMIDINYL PYRIDAZINONE DERIVATIVES
  申请人：MERCK PATENT GMBH

  公开号：US20150133452A1

  公开（公告）日：2015-05-14

  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所述的组合物被选择为酪氨酸激酶的抑制剂，特别是Met激酶的抑制剂，并可用于治疗肿瘤等疾病。
• [DE] PYRIMIDINYL-PYRIDAZINONDERIVATE<br/>[EN] PYRIMIDINYL PYRIDAZINONE DERIVATES<br/>[FR] DÉRIVÉS DE PYRIMIDINYLPYRIDAZINONE
  申请人：MERCK PATENT GMBH

  公开号：WO2009007074A1

  公开（公告）日：2009-01-15

  Verbindungen ausgewählt aus der Gruppe gemäß Anspruch 1 sind Inhibitoren der Tyrosinkinasen, insbesondere der Met-Kinase und können u.a. zur Behandlung von Tumoren eingesetzt werden.

  根据权利要求1中选择的连接物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。