tert-butyl 2-(5-benzyloxy-pyridin-2-yl)acetate | 947688-59-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 2-(5-benzyloxy-pyridin-2-yl)acetate
• 英文别名: tert-butyl 2-(5-phenylmethoxypyridin-2-yl)acetate
• CAS: 947688-59-7
• 化学式: C₁₈H₂₁NO₃
• 分子量: 299.37
• InChiKey: YMRCPFPXFTYSCD-UHFFFAOYSA-N

物化性质

• 沸点：
  411.8±35.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(5-benzyloxy-pyridin-2-yl)acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以11.323 g的产率得到2-(5-(benzyloxy)pyridin-2-yl)acetic acid
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of Potent c-Met Inhibitors

  摘要：

  c-Met is a receptor tyrosine kinase that plays a key role in several cellular processes but has also been found to be overexpressed and mutated in different human cancers. Consequently, targeting this enzyme has become an area of intense research in drug discovery. Our studies began with the design and synthesis of novel pyrimidone 7, which was found to be a potent c-Met inhibitor. Subsequent SAR studies identified 22 as a more potent analog, whereas an X-ray crystal structure of 7 bound to c-Met revealed an unexpected binding conformation. This latter finding led to the development of a new series that featured compounds that were more potent both in vitro and in vivo than 22 and also exhibited different binding conformations to c-Met. Novel c-Met inhibitors have been designed, developed, and found to be potent in vitro and in vivo.

  DOI：

  10.1021/jm8006189
• 作为产物：
  描述：

  2-(5-(benzyloxy)pyridin-2-yl)acetic acid 、 2-叔丁基-1,3-二异丙基异脲 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 tert-butyl 2-(5-benzyloxy-pyridin-2-yl)acetate
  参考文献：
  名称：

  QUINOLINE DERIVATIVES

  摘要：

  这项发明涉及公式I的喹啉衍生物或其药用盐，其中X 1 ，p，R 1 ，q，R 2 ，R 3 ，R 4 ，R 5 ，环A，r和R 6 中的每一个具有在描述中定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱的药物的药物中的使用。

  公开号：

  US20090076075A1

文献信息

• QUINAZOLINE DERIVATIVES
  申请人：Jung Frederic Henri

  公开号：US20090233950A1

  公开（公告）日：2009-09-17

  The invention concerns quinazoline derivatives of Formula I or a pharmaceutically-acceptable salt thereof, wherein each of X 1 , p, R 1 , q, R 2 , R 3 , R 4 , R 5 , Ring A, r and R 6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  该发明涉及公式I的喹唑啉衍生物或其药学上可接受的盐，其中X1、p、R1、q、R2、R3、R4、R5、环A、r和R6中的每一个都具有在说明中定义的任何含义；它们的制备方法，包含它们的制药组合物以及它们用于制造用于治疗细胞增殖性疾病的药物的用途。
• WO2007/99317
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] QUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE LA QUINOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2007099323A2

  公开（公告）日：2007-09-07

  [EN] The invention concerns quinoline derivatives of Formula (I) or a pharmaceutically-acceptable salt thereof, wherein each of X¹, p, R¹, q, R², R³, R⁴, R⁵, Ring A, r and R⁶ has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.
  [FR] L'invention concerne des dérivés de la quinoline de formule (I) ou un sel pharmaceutiquement acceptable de ceux-ci, X¹, p, R¹, q, R², R³, R⁴, R⁵, le cycle A, r et R⁶ ayant chacun l'une des significations définies dans la description ; des procédés pour leur préparation, des compositions pharmaceutiques qui les contiennent et leur utilisation dans la fabrication d'un médicament à utiliser dans le traitement de troubles prolifératifs cellulaires.
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE LA QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2007099317A1

  公开（公告）日：2007-09-07

  [EN] The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt thereof, wherein each of X1, p, R¹, q, R², R³, R⁴, R⁵, Ring A, r and R⁶ has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.
  [FR] L'invention concerne des dérivés de la quinazoline de formule (I) ou un sel pharmaceutiquement acceptable de ceux-ci, X1, p, R¹, q, R², R³, R⁴, R⁵, le cycle A, r et R⁶ ayant chacun l'une des significations définies dans la description ; des procédés pour leur préparation, des compositions pharmaceutiques qui les contiennent et leur utilisation dans la fabrication d'un médicament à utiliser dans le traitement de troubles prolifératifs cellulaires.
• QUINOLINE DERIVATIVES
  申请人：Jung Frederic Henri

  公开号：US20090076075A1

  公开（公告）日：2009-03-19

  The invention concerns quinoline derivatives of Formula I or a pharmaceutically-acceptable salt thereof, wherein each of X 1 , p, R 1 , q, R 2 , R 3 , R 4 , R 5 Ring A, r and R 6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  这项发明涉及公式I的喹啉衍生物或其药用盐，其中X 1 ，p，R 1 ，q，R 2 ，R 3 ，R 4 ，R 5 ，环A，r和R 6 中的每一个具有在描述中定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱的药物的药物中的使用。