(tetrahydropyran-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]amine | 1128080-30-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (tetrahydropyran-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]amine
• 英文别名: (Tetrahydropyran-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine；N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-4-amine
• CAS: 1128080-30-7
• 化学式: C₁₇H₂₆BNO₃
• 分子量: 303.209
• InChiKey: KSBUNIQZIDVYDC-UHFFFAOYSA-N

物化性质

• 沸点：
  437.2±40.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  39.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-bromo-1-isopentylpyridin-2(1H)-one 、 (tetrahydropyran-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]amine 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 1,3-二噁烷 、 水 为溶剂， 反应 0.17h， 以95%的产率得到1-(3-methylbutyl)-4-[4-(tetrahydropyran-4-ylamino)-phenyl]-1H-pyridin-2-one
  参考文献：
  名称：

  [EN] 1,3-DISUBSTITUTED-4-PHENYL-1 H-PYRIDIN-2-ONES
  [FR] 4-PHÉNYLE-1H-PYRIDINE-2-ONES 1,3-DISUBSTITUÉES

  摘要：

  本发明涉及新颖化合物，特别是根据式（I）的新型吡啶酮衍生物，其中所有基团如申请和权利要求中所定义。根据本发明的化合物是代谢型受体-亚型2（'mGluR2'）的阳性变构调节剂，用于治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及涉及代谢型受体mGluR2亚型的疾病。具体来说，这些疾病是中枢神经系统疾病，包括焦虑、精神分裂症、偏头痛、抑郁症和癫痫等。该发明还涉及制备这种化合物和组合物的药物组合物和过程，以及利用这种化合物预防和治疗涉及mGluR2的疾病。

  公开号：

  WO2009033703A1
• 作为产物：
  描述：

  四氢吡喃酮 、 4-氨基苯硼酸频哪醇酯 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 生成 (tetrahydropyran-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]amine
  参考文献：
  名称：

  [EN] 1,3-DISUBSTITUTED-4-PHENYL-1 H-PYRIDIN-2-ONES
  [FR] 4-PHÉNYLE-1H-PYRIDINE-2-ONES 1,3-DISUBSTITUÉES

  摘要：

  本发明涉及新颖化合物，特别是根据式（I）的新型吡啶酮衍生物，其中所有基团如申请和权利要求中所定义。根据本发明的化合物是代谢型受体-亚型2（'mGluR2'）的阳性变构调节剂，用于治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及涉及代谢型受体mGluR2亚型的疾病。具体来说，这些疾病是中枢神经系统疾病，包括焦虑、精神分裂症、偏头痛、抑郁症和癫痫等。该发明还涉及制备这种化合物和组合物的药物组合物和过程，以及利用这种化合物预防和治疗涉及mGluR2的疾病。

  公开号：

  WO2009033703A1

文献信息

• 1,3-DISUBSTITUTED-4-PHENYL-1H-PYRIDIN-2-ONES
  申请人：Cid-Nunez Jose Maria

  公开号：US20100240706A1

  公开（公告）日：2010-09-23

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are as defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors—subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新型化合物，特别是根据公式(I)定义的新型吡啶酮衍生物，其中所有基团均如本申请和权利要求中所定义。本发明的化合物是代谢型受体亚型2（“mGluR2”）的阳性变构调节剂，可用于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型受体亚型mGluR2的疾病。特别地，这些疾病是选择自焦虑、精神分裂症、偏头痛、抑郁症和癫痫等中枢神经系统疾病的一组。本发明还涉及制备此类化合物和组合物的制药组合和过程，以及使用此类化合物预防和治疗涉及mGluR2的上述疾病。
• INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME
  申请人：University Health Network

  公开号：US20140371202A1

  公开（公告）日：2014-12-18

  The present teaching provide indazole compounds represented by Structural Formulae (I) or (I′) or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof as protein kinase inhibitors, such as TTK protein kinase, polo-like kinase 4 (PLK4) and Aurora kinases having anticancer activity against breast cancer cells, colon cancer cells, and ovarian cancer cells.

  本教学提供由结构式（I）或（I'）所代表的吲唑化合物或其药学上可接受的盐。还描述了制备药物组合物和使用方法，作为蛋白激酶抑制剂，例如TTK蛋白激酶，极化样激酶4（PLK4）和极化激酶，对乳腺癌细胞，结肠癌细胞和卵巢癌细胞具有抗癌活性。
• KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME
  申请人：UNIVERISTY HEALTH NETWORKS

  公开号：US20140051679A1

  公开（公告）日：2014-02-20

  The present teachings provide a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof.

  本文提供了一种由结构式（I）表示的化合物，或其药学上可接受的盐。还描述了这些药物组合物的制备方法和使用方法。
• 1,3-disubstituted-4-phenyl-1H-pyridin-2-ones
  申请人：Cid-Nunez Jose Maria

  公开号：US08722894B2

  公开（公告）日：2014-05-13

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are as defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors—subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新型化合物，特别是根据式（I）定义的新型吡啶酮衍生物，其中所有基团在申请和权利要求书中均有定义。本发明的化合物是代谢型受体亚型2（“mGluR2”）的正向变构调节剂，可用于治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及涉及代谢型受体亚型mGluR2的疾病。特别是，这些疾病是来自焦虑、精神分裂症、偏头痛、抑郁症和癫痫的中枢神经系统疾病。本发明还涉及制备此类化合物和组合物的制药组合和过程，以及使用此类化合物预防和治疗涉及mGluR2的这些疾病。
• [EN] 1,3-DISUBSTITUTED-4-PHENYL-1 H-PYRIDIN-2-ONES<br/>[FR] 4-PHÉNYLE-1H-PYRIDINE-2-ONES 1,3-DISUBSTITUÉES
  申请人：ORTHO MCNEIL JANSSEN PHARM

  公开号：WO2009033703A1

  公开（公告）日：2009-03-19

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are as defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors - subtype 2 ('mGluR2') which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新颖化合物，特别是根据式（I）的新型吡啶酮衍生物，其中所有基团如申请和权利要求中所定义。根据本发明的化合物是代谢型受体-亚型2（'mGluR2'）的阳性变构调节剂，用于治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及涉及代谢型受体mGluR2亚型的疾病。具体来说，这些疾病是中枢神经系统疾病，包括焦虑、精神分裂症、偏头痛、抑郁症和癫痫等。该发明还涉及制备这种化合物和组合物的药物组合物和过程，以及利用这种化合物预防和治疗涉及mGluR2的疾病。