4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid dimethylamide | 1175273-73-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid dimethylamide
• 英文别名: N,N-Dimethyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxamide；N,N-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxamide
• CAS: 1175273-73-0
• 化学式: C₁₇H₂₉BN₄O₃
• 分子量: 348.253
• InChiKey: UQDGKIVHKKNYHS-UHFFFAOYSA-N

物化性质

• 沸点：
  504.9±40.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid dimethylamide 、 2,2,2-三氟乙基三氟甲烷磺酸酯 以 乙酸乙酯 为溶剂， 反应 3.08h， 生成 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)-piperidine
  参考文献：
  名称：

  Substituted Pyrrolo[2,3-b]-Pyridines and -Pyrazines

  摘要：

  以下公式式(I)的化合物，其定义如下：(I)药学上可接受的盐、合成、中间体、配方和治疗该疾病的方法，包括至少部分由Ron和/或Met介导的癌症。

  公开号：

  US20110224191A1
• 作为产物：
  描述：

  4-[4-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)-1H-吡唑-1-基]哌啶-1-甲酸叔丁酯 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid dimethylamide
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRROLO[2,3-B]-PYRIDINES AND-PYRAZINES
  [FR] PYRROLO[2,3-B]-PYRIDINES ET PYRROLO[2,3-B]-PYRAZINES SUBSTITUÉES

  摘要：

  公式I的化合物，如下所示并在此定义：(I)药用可接受的盐，合成，中间体，配方和治疗疾病的方法，包括至少部分由Ron和/或Met介导的癌症。

  公开号：

  WO2010059771A1

文献信息

• Synthesis and structure–activity relationship of aminopyridines with substituted benzoxazoles as c-Met kinase inhibitors
  作者：Jongkook Lee、Sun-Young Han、Heejung Jung、Jeon Yang、Jie-Won Choi、Chong Hack Chae、Chi Hoon Park、Sang Un Choi、Kwangho Lee、Jae Du Ha、Chong Ock Lee、Jae Wook Ryu、Hyoung Rae Kim、Jong Sung Koh、Sung Yun Cho

  DOI：10.1016/j.bmcl.2012.04.083

  日期：2012.6

  A series of hydroxybenzoxazole derivatives was synthesized, and their c-Met kinase inhibitory activity was evaluated. Described herein is a potent c-Met inhibitor by structural modification of the parent benzoxazole scaffold, with particular focus on the hydroxyl substituent of the benzoxazole moiety.

  合成了一系列羟基苯并恶唑衍生物，并评估了它们的c-Met激酶抑制活性。本文描述了通过母体苯并恶唑支架的结构修饰的有效的c-Met抑制剂，特别关注苯并恶唑部分的羟基取代基。
• 2-aminopyridine kinase inhibitors
  申请人：OSI Pharmaceuticals, LLC

  公开号：US08178668B2

  公开（公告）日：2012-05-15

  2-Aminopyridine compounds having the structure of Formula I, and pharmaceutically acceptable salts of these compounds. Compounds of Formula I inhibit the activity of tyrosine kinase enzymes in animals, including humans, and are useful in the treatment and/or prevention of various diseases and conditions. In particular, compounds disclosed herein are inhibitors of kinases, in particular, but not limited to, KDR, Tie-2, Flt3, FGFR3, Ab1, Aurora A, c-Src, IGF-1R, ALK, c-MET, RON, PAK1, PAK2, and TAK1, and can be used in the treatment of proliferative diseases, such as, but not limited to, cancer. The present invention is also directed to a pharmaceutical composition comprising a therapeutically effective amount of a compound of Formula I, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The present invention is further directed to a method of treating a patient having a condition which is mediated by protein kinase activity by administering to the patient a therapeutically effective amount of the above-mentioned pharmaceutical composition.

  具有I式结构的2-氨基吡啶化合物，以及这些化合物的药学上可接受的盐。I式化合物抑制动物（包括人类）中的酪氨酸激酶酶活性，并在治疗和/或预防各种疾病和病况方面有用。特别地，本文披露的化合物是激酶抑制剂，特别是但不限于KDR，Tie-2，Flt3，FGFR3，Ab1，Aurora A，c-Src，IGF-1R，ALK，c-MET，RON，PAK1，PAK2和TAK1，并可用于治疗增殖性疾病，例如但不限于癌症。本发明还涉及一种制备药物组合物的方法，该组合物包括I式化合物或其药学上可接受的盐的治疗有效量以及药学上可接受的载体。本发明还涉及一种通过向患有蛋白激酶活性介导的病症的患者投与上述药物组合物的治疗方法。
• Substituted Pyrrolo[2,3-b]-Pyridines and -Pyrazines
  申请人：Chen Xin

  公开号：US20110224191A1

  公开（公告）日：2011-09-15

  Compounds of Formula I, as shown below and defined herein: (I) pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancers mediated at least in part by Ron and/or Met.

  以下公式式(I)的化合物，其定义如下：(I)药学上可接受的盐、合成、中间体、配方和治疗该疾病的方法，包括至少部分由Ron和/或Met介导的癌症。
• 2-AMINOPYRIDINE KINASE INHIBITORS
  申请人：Steinig Arno G.

  公开号：US20090197862A1

  公开（公告）日：2009-08-06

  2-Aminopyridine compounds having the structure of Formula I, and pharmaceutically acceptable salts of these compounds. Compounds of Formula I inhibit the activity of tyrosine kinase enzymes in animals, including humans, and are useful in the treatment and/or prevention of various diseases and conditions. In particular, compounds disclosed herein are inhibitors of kinases, in particular, but not limited to, KDR, Tie-2, Flt3, FGFR3, Ab1, Aurora A, c-Src, IGF-1R, ALK, c-MET, RON, PAK1, PAK2, and TAK1, and can be used in the treatment of proliferative diseases, such as, but not limited to, cancer. The present invention is also directed to a pharmaceutical composition comprising a therapeutically effective amount of a compound of Formula I, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The present invention is further directed to a method of treating a patient having a condition which is mediated by protein kinase activity by administering to the patient a therapeutically effective amount of the above-mentioned pharmaceutical composition.

  具有I式结构的2-氨基吡啶化合物，以及这些化合物的药学上可接受的盐。I式化合物抑制动物（包括人类）中酪氨酸激酶酶活性，可用于治疗和/或预防各种疾病和病况。特别地，本文所披露的化合物是激酶抑制剂，特别是但不限于KDR、Tie-2、Flt3、FGFR3、Ab1、Aurora A、c-Src、IGF-1R、ALK、c-MET、RON、PAK1、PAK2和TAK1，可用于治疗增殖性疾病，例如但不限于癌症。本发明还涉及包含I式化合物或其药学上可接受的盐的治疗有效量和药学上可接受的载体的制药组合物。本发明还涉及通过向患有蛋白激酶活性介导的病患者给予上述制药组合物的治疗方法。
• [EN] SUBSTITUTED PYRROLO[2,3-B]-PYRIDINES AND-PYRAZINES<br/>[FR] PYRROLO[2,3-B]-PYRIDINES ET PYRROLO[2,3-B]-PYRAZINES SUBSTITUÉES
  申请人：OSI PHARM INC

  公开号：WO2010059771A1

  公开（公告）日：2010-05-27

  Compounds of Formula I, as shown below and defined herein:(I) pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancers mediated at least in part by Ron and/or Met.

  公式I的化合物，如下所示并在此定义：(I)药用可接受的盐，合成，中间体，配方和治疗疾病的方法，包括至少部分由Ron和/或Met介导的癌症。