[(S)-1-(5-Bromo-pyridin-3-yloxymethyl)-2-pyridin-4-yl-ethyl]-carbamic acid tert-butyl ester | 904324-61-4

• 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: [(S)-1-(5-Bromo-pyridin-3-yloxymethyl)-2-pyridin-4-yl-ethyl]-carbamic acid tert-butyl ester
• CAS: 904324-61-4
• 化学式: C₁₈H₂₂BrN₃O₃
• 分子量: 408.295
• InChiKey: IORTUTSPHAYRIP-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  73.34
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [(S)-1-(5-Bromo-pyridin-3-yloxymethyl)-2-pyridin-4-yl-ethyl]-carbamic acid tert-butyl ester 在 六甲基二锡 、 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 (1S)-2-(5-(3-methyl-1H-indazol-5-yl)-pyridin-3-yloxy)-1-pyridin-4-ylmethyl-ethylamine
  参考文献：
  名称：

  Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase

  摘要：

  Based on lead compounds 2 and 3 a series of 3,5-disubstituted pyridines have been designed and evaluated for inhibition of AKT/PKB. Modifications at the 3 position of the pyridine ring led to a number of potent compounds with improved physical properties, resulting in the identification of 11g as a promising, orally active Akt inhibitor. The synthesis, structure-activity relationship studies, and pharmacokinetic data are presented in this paper. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.046
• 作为产物：
  描述：

  Boc-3-(4-吡啶基)-L-丙氨酸 在 三苯基膦 、 偶氮二甲酸二乙酯 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 生成 [(S)-1-(5-Bromo-pyridin-3-yloxymethyl)-2-pyridin-4-yl-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase

  摘要：

  Based on lead compounds 2 and 3 a series of 3,5-disubstituted pyridines have been designed and evaluated for inhibition of AKT/PKB. Modifications at the 3 position of the pyridine ring led to a number of potent compounds with improved physical properties, resulting in the identification of 11g as a promising, orally active Akt inhibitor. The synthesis, structure-activity relationship studies, and pharmacokinetic data are presented in this paper. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.046